2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile

C14H10N4 — CID 170694386

IUPAC2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile
SMILESCc1cc2cc(C#N)ccc2n1-c1ncccn1
InChIInChI=1S/C14H10N4/c1-10-7-12-8-11(9-15)3-4-13(12)18(10)14-16-5-2-6-17-14/h2-8H,1H3
InChIKeyOYUMKZMHMCNMCE-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.60
Rot. Bonds1

About 2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile

2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile (PubChem CID 170694386) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile
PubChem CID170694386
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile
SMILESCc1cc2cc(C#N)ccc2n1-c1ncccn1
InChIInChI=1S/C14H10N4/c1-10-7-12-8-11(9-15)3-4-13(12)18(10)14-16-5-2-6-17-14/h2-8H,1H3
InChIKeyOYUMKZMHMCNMCE-UHFFFAOYSA-N
XLogP2.60
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-pyrimidin-2-ylindole-5-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

1-pyridin-2-ylindazole-5-carbonitrile
CID 10489088
N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide
CID 139981144
1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
4-methyl-3-pyrimidin-2-yloxybenzonitrile
CID 70098309
1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile
CID 143383296
2-ethenyl-5-methyl-1-pyrimidin-2-ylindole
CID 155679286
1-methylindazole-5-carbonitrile
CID 10583041
4-(2,6-dimethylindol-1-yl)benzonitrile
CID 118086140
3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile
CID 102530489
4-[2-methyl-5-(triazol-2-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile
CID 118078530
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104712271
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile?
The IUPAC name of 2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile (CID 170694386) is 2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile.
What is the SMILES notation for 2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile?
The canonical SMILES for 2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile is Cc1cc2cc(C#N)ccc2n1-c1ncccn1.
What is the InChIKey of 2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile?
The InChIKey is OYUMKZMHMCNMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-10-7-12-8-11(9-15)3-4-13(12)18(10)14-16-5-2-6-17-14/h2-8H,1H3.
What are the key properties of 2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile?
2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrimidin-2-ylindole-5-carbonitrile is sourced from PubChem (CID 170694386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).