Chemical Components in the PDB

pdbe.org/chem
spacer

CP7 : Summary

Code

CP7

One-letter code

X

Molecule name

6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 6-ethyl-5-phenylpyrimidine-2,4-diamine
OpenEye OEToolkits 1.5.0 6-ethyl-5-phenyl-pyrimidine-2,4-diamine

Formula

C12 H14 N4

Formal charge

0

Molecular weight

214.266 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(c(c(nc1N)N)c2ccccc2)CC
SMILES CACTVS 3.341 CCc1nc(N)nc(N)c1c2ccccc2
SMILES OpenEye OEToolkits 1.5.0 CCc1c(c(nc(n1)N)N)c2ccccc2
Canonical SMILES CACTVS 3.341 CCc1nc(N)nc(N)c1c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.5.0 CCc1c(c(nc(n1)N)N)c2ccccc2

IUPAC InChI

InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)

IUPAC InChI key

XREDUPOVEQDQQS-UHFFFAOYSA-N
CP7

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-03-03

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned