4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile

C15H12N4 — CID 116894910

IUPAC4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile
SMILESCc1cc(-c2c(C)[nH]c3ccccc23)nc(C#N)n1
InChIInChI=1S/C15H12N4/c1-9-7-13(19-14(8-16)17-9)15-10(2)18-12-6-4-3-5-11(12)15/h3-7,18H,1-2H3
InChIKeyAFOJPXDRJAZAPP-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.11
Rot. Bonds1

About 4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile

4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile (PubChem CID 116894910) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile
PubChem CID116894910
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile
SMILESCc1cc(-c2c(C)[nH]c3ccccc23)nc(C#N)n1
InChIInChI=1S/C15H12N4/c1-9-7-13(19-14(8-16)17-9)15-10(2)18-12-6-4-3-5-11(12)15/h3-7,18H,1-2H3
InChIKeyAFOJPXDRJAZAPP-UHFFFAOYSA-N
XLogP3.11
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile (CID 116894910) is 4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile is Cc1cc(-c2c(C)[nH]c3ccccc23)nc(C#N)n1.
What is the InChIKey of 4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile?
The InChIKey is AFOJPXDRJAZAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-9-7-13(19-14(8-16)17-9)15-10(2)18-12-6-4-3-5-11(12)15/h3-7,18H,1-2H3.
What are the key properties of 4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile?
4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methyl-1H-indol-3-yl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 116894910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).