4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile

C14H12N6 — CID 116865150

IUPAC4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile
SMILESCc1nc2cc(-c3ncc(C#N)c(N)n3)ccc2n1C
InChIInChI=1S/C14H12N6/c1-8-18-11-5-9(3-4-12(11)20(8)2)14-17-7-10(6-15)13(16)19-14/h3-5,7H,1-2H3,(H2,16,17,19)
InChIKeyMIPBFYPKGOSRNM-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.79
Rot. Bonds1

About 4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile

4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile (PubChem CID 116865150) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile
PubChem CID116865150
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile
SMILESCc1nc2cc(-c3ncc(C#N)c(N)n3)ccc2n1C
InChIInChI=1S/C14H12N6/c1-8-18-11-5-9(3-4-12(11)20(8)2)14-17-7-10(6-15)13(16)19-14/h3-5,7H,1-2H3,(H2,16,17,19)
InChIKeyMIPBFYPKGOSRNM-UHFFFAOYSA-N
XLogP1.79
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile (CID 116865150) is 4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile is Cc1nc2cc(-c3ncc(C#N)c(N)n3)ccc2n1C.
What is the InChIKey of 4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile?
The InChIKey is MIPBFYPKGOSRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-8-18-11-5-9(3-4-12(11)20(8)2)14-17-7-10(6-15)13(16)19-14/h3-5,7H,1-2H3,(H2,16,17,19).
What are the key properties of 4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile?
4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 116865150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).