PDB Chemical Component ICP

Ideal Model

Chemical Description

Name 2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE
Synonyms 4-IMINO-5-METHIDYL-2-METHYLPYRIMIDINE
Formula C6 H7 N3
Formal charge 0
Molecular weight 121.140 g/mol
Component type NON-POLYMER

Chemical features

Atom count 16
Chiral atom count 0
Bond count 16
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) (4Z)-2-methyl-5-methylidenepyrimidin-4(5H)-imine
Systematic name (OpenEye OEToolkits) 2-methyl-5-methylidene-pyrimidin-4-imine

Chemical Descriptors

Stereo SMILES (CACTVS) CC1=NC(=N)C(=C)C=N1
SMILES (CACTVS) CC1=NC(=N)C(=C)C=N1
Stereo SMILES (OpenEye) CC1=NC(=N)C(=C)C=N1
InChI descriptor InChI=1/C6H7N3/c1-4-3-8-5(2)9-6(4)7/h3,7H,1H2,2H3
InChIKey descriptor AXFPKNUSOMMYRV-UHFFFAOYAF

Status Information

Last modified 2008-10-14
Created 2000-11-16
Release status REL
Model PDB code 1G67
Processing site RCSB