Chemical Components in the PDB

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C2M : Summary

Code

C2M

One-letter code

X

Molecule name

5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE

Synonyms

METOPRINE
METHODICHLOROPHEN

Systematic names

ProgramVersionName
ACDLabs 10.04 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
OpenEye OEToolkits 1.5.0 5-(3,4-dichlorophenyl)-6-methyl-pyrimidine-2,4-diamine

Formula

C11 H10 Cl2 N4

Formal charge

0

Molecular weight

269.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc2ccc(c1c(nc(nc1C)N)N)cc2Cl
SMILES CACTVS 3.341 Cc1nc(N)nc(N)c1c2ccc(Cl)c(Cl)c2
SMILES OpenEye OEToolkits 1.5.0 Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl
Canonical SMILES CACTVS 3.341 Cc1nc(N)nc(N)c1c2ccc(Cl)c(Cl)c2
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl

IUPAC InChI

InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)

IUPAC InChI key

VQJHOPSWBGJHQS-UHFFFAOYSA-N
C2M

wwPDB Information

Atom count

27 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAD

Is modified

No

Standard parent

Not Assigned

Defined at

2005-09-01

Last modified at

2020-05-27

Status

Released

Obsoleted

Not Assigned