1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile

C12H11N7 — CID 112595404

IUPAC1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile
SMILESCNc1cc(C)nc(Cn2cnc(C#N)c2C#N)n1
InChIInChI=1S/C12H11N7/c1-8-3-11(15-2)18-12(17-8)6-19-7-16-9(4-13)10(19)5-14/h3,7H,6H2,1-2H3,(H,15,17,18)
InChIKeyYXWZQQXWHARHAQ-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.81
Rot. Bonds3

About 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile

1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile (PubChem CID 112595404) has the molecular formula C12H11N7 and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile
PubChem CID112595404
Molecular FormulaC12H11N7
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile
SMILESCNc1cc(C)nc(Cn2cnc(C#N)c2C#N)n1
InChIInChI=1S/C12H11N7/c1-8-3-11(15-2)18-12(17-8)6-19-7-16-9(4-13)10(19)5-14/h3,7H,6H2,1-2H3,(H,15,17,18)
InChIKeyYXWZQQXWHARHAQ-UHFFFAOYSA-N
XLogP0.81
TPSA103.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,4,6-trimethylphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595657
1-[(2,5-dimethylphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595464
N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine
CID 80664628
4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one
CID 80654427
3,5-dimethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methoxy]benzonitrile
CID 80664092
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
1-[3-(methylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595329
4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one
CID 80654493
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 103538650
2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654513
1-(methoxymethyl)imidazole-4,5-dicarbonitrile
CID 15054275
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657678

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile (CID 112595404) is 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile is CNc1cc(C)nc(Cn2cnc(C#N)c2C#N)n1.
What is the InChIKey of 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile?
The InChIKey is YXWZQQXWHARHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7/c1-8-3-11(15-2)18-12(17-8)6-19-7-16-9(4-13)10(19)5-14/h3,7H,6H2,1-2H3,(H,15,17,18).
What are the key properties of 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile?
1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile has a molecular weight of 253.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).