6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile

C13H10N6 — CID 115142943

IUPAC6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCc2ccc3nc[nH]c3c2)ncn1
InChIInChI=1S/C13H10N6/c14-5-10-4-13(19-7-16-10)15-6-9-1-2-11-12(3-9)18-8-17-11/h1-4,7-8H,6H2,(H,17,18)(H,15,16,19)
InChIKeyKSEYSKYGDZWEDN-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.84
Rot. Bonds3

About 6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile

6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile (PubChem CID 115142943) has the molecular formula C13H10N6 and a molecular weight of 250.27 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile
PubChem CID115142943
Molecular FormulaC13H10N6
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCc2ccc3nc[nH]c3c2)ncn1
InChIInChI=1S/C13H10N6/c14-5-10-4-13(19-7-16-10)15-6-9-1-2-11-12(3-9)18-8-17-11/h1-4,7-8H,6H2,(H,17,18)(H,15,16,19)
InChIKeyKSEYSKYGDZWEDN-UHFFFAOYSA-N
XLogP1.84
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile 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

6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile
CID 115142944
2-(3H-benzimidazol-5-ylmethylamino)acetonitrile
CID 115131027
6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142887
N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine
CID 88890559
N-(3H-benzimidazol-5-ylmethyl)-2-cyanobenzenesulfonamide
CID 110785573
(3H-benzimidazol-5-ylmethylamino)methanethiol
CID 115227972
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213218
6-[[(E)-4-aminobut-2-enyl]amino]pyrimidine-4-carbonitrile
CID 130551443
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
CID 115143046
4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265541
6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
CID 115143037

Frequently Asked Questions

What is the IUPAC name of 6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile (CID 115142943) is 6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile is N#Cc1cc(NCc2ccc3nc[nH]c3c2)ncn1.
What is the InChIKey of 6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile?
The InChIKey is KSEYSKYGDZWEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6/c14-5-10-4-13(19-7-16-10)15-6-9-1-2-11-12(3-9)18-8-17-11/h1-4,7-8H,6H2,(H,17,18)(H,15,16,19).
What are the key properties of 6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile?
6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile has a molecular weight of 250.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).