ICP

2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE

Created:	2000-11-16
Last modified:	2021-03-01

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2 entries where ICP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

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Chemical Component Summary
Name	2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE
Synonyms	4-IMINO-5-METHIDYL-2-METHYLPYRIMIDINE
Systematic Name (OpenEye OEToolkits)	2-methyl-5-methylidene-pyrimidin-4-imine
Formula	C₆ H₇ N₃
Molecular Weight	121.14
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[N@H]=C/1N=C(N=CC\1=C)C
SMILES	CACTVS	3.341	CC1=NC(=N)C(=C)C=N1
SMILES	OpenEye OEToolkits	1.5.0	CC1=NC(=N)C(=C)C=N1
Canonical SMILES	CACTVS	3.341	CC1=NC(=N)C(=C)C=N1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=NC(=N)C(=C)C=N1
InChI	InChI	1.03	InChI=1S/C6H7N3/c1-4-3-8-5(2)9-6(4)7/h3,7H,1H2,2H3
InChIKey	InChI	1.03	AXFPKNUSOMMYRV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01788
Name	2-methyl-5-methylidenepyrimidin-4-imine
Groups	experimental
Synonyms	2-Methyl-5-methylene-4(5H)-pyrimidinimine 4-Imino-5-Methidyl-2-Methylpyrimidine 2-methyl-5-methylidenepyrimidin-4-imine
CAS number	918960-40-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Thiamine-phosphate synthase	MTRISREMMKELLSVYFIMGSNNTKADPVTVVQKALKGGATLYQFREKGG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682