N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine (CHEBI:90540)

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CHEBI:90540 - N²-[3-methoxy-4-(morpholin-4-yl)phenyl]-N⁴-(quinolin-3-yl)pyrimidine-2,4-diamine

Default Structure

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ChEBI ID	CHEBI:90540
ChEBI Name	N²-[3-methoxy-4-(morpholin-4-yl)phenyl]-N⁴-(quinolin-3-yl)pyrimidine-2,4-diamine
Stars
ASCII Name	N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
Definition	A member of the class of aminopyrimidines that is pyrimidine-2,4-diamine substituted at positions N-2 and N-4 by 3-methoxy-4-(morpholin-4-yl)phenyl and quinolin-3-yl groups respectively.
Last Modified	8 July 2016
Submitter	mziehm
Downloads	Molfile

Formula	C24H24N6O2
Net Charge	0
Average Mass	428.496
Monoisotopic Mass	428.19607
SMILES	COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N1CCOCC1
InChI	InChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29)
InChIKey	LNEPMZDEABTAPY-UHFFFAOYSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	insulin-like growth factor receptor 1 antagonist An antagonist at the insulin-like growth factor receptor 1.

ChEBI Ontology

Outgoing Relation(s)
	N²-[3-methoxy-4-(morpholin-4-yl)phenyl]-N⁴-(quinolin-3-yl)pyrimidine-2,4-diamine (CHEBI:90540) has role insulin-like growth factor receptor 1 antagonist (CHEBI:75252)
	N²-[3-methoxy-4-(morpholin-4-yl)phenyl]-N⁴-(quinolin-3-yl)pyrimidine-2,4-diamine (CHEBI:90540) is a aminopyrimidine (CHEBI:38338)
	N²-[3-methoxy-4-(morpholin-4-yl)phenyl]-N⁴-(quinolin-3-yl)pyrimidine-2,4-diamine (CHEBI:90540) is a aminoquinoline (CHEBI:36709)
	N²-[3-methoxy-4-(morpholin-4-yl)phenyl]-N⁴-(quinolin-3-yl)pyrimidine-2,4-diamine (CHEBI:90540) is a monomethoxybenzene (CHEBI:25235)
	N²-[3-methoxy-4-(morpholin-4-yl)phenyl]-N⁴-(quinolin-3-yl)pyrimidine-2,4-diamine (CHEBI:90540) is a morpholines (CHEBI:38785)
	N²-[3-methoxy-4-(morpholin-4-yl)phenyl]-N⁴-(quinolin-3-yl)pyrimidine-2,4-diamine (CHEBI:90540) is a secondary amino compound (CHEBI:50995)
	N²-[3-methoxy-4-(morpholin-4-yl)phenyl]-N⁴-(quinolin-3-yl)pyrimidine-2,4-diamine (CHEBI:90540) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
N²-[3-methoxy-4-(morpholin-4-yl)phenyl]-N⁴-(quinolin-3-yl)pyrimidine-2,4-diamine

Manual Xrefs	Databases
01P	PDBeChem

Registry Numbers	Sources
Reaxys:21376854	Reaxys

Citations