6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile

C14H12N6 — CID 115142944

IUPAC6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile
SMILESCc1nc2ccc(CNc3cc(C#N)ncn3)cc2[nH]1
InChIInChI=1S/C14H12N6/c1-9-19-12-3-2-10(4-13(12)20-9)7-16-14-5-11(6-15)17-8-18-14/h2-5,8H,7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeySVUOMNNABFIBNF-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.15
Rot. Bonds3

About 6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile

6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile (PubChem CID 115142944) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile
PubChem CID115142944
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile
SMILESCc1nc2ccc(CNc3cc(C#N)ncn3)cc2[nH]1
InChIInChI=1S/C14H12N6/c1-9-19-12-3-2-10(4-13(12)20-9)7-16-14-5-11(6-15)17-8-18-14/h2-5,8H,7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeySVUOMNNABFIBNF-UHFFFAOYSA-N
XLogP2.15
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile
CID 115142943
6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142887
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124486
1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242286
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115134746
3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115126073
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
CID 115143046
4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butan-2-one
CID 115235708
5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 137345709

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile (CID 115142944) is 6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile is Cc1nc2ccc(CNc3cc(C#N)ncn3)cc2[nH]1.
What is the InChIKey of 6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile?
The InChIKey is SVUOMNNABFIBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-9-19-12-3-2-10(4-13(12)20-9)7-16-14-5-11(6-15)17-8-18-14/h2-5,8H,7H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile?
6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).