6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile

C6H5N3O — CID 17244521

IUPAC6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(=O)[nH]1
InChIInChI=1S/C6H5N3O/c1-4-2-5(3-7)9-6(10)8-4/h2H,1H3,(H,8,9,10)
InChIKeyOTKHLNMEHLPOAL-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.05
Rot. Bonds

About 6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile

6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile (PubChem CID 17244521) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile
PubChem CID17244521
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(=O)[nH]1
InChIInChI=1S/C6H5N3O/c1-4-2-5(3-7)9-6(10)8-4/h2H,1H3,(H,8,9,10)
InChIKeyOTKHLNMEHLPOAL-UHFFFAOYSA-N
XLogP-0.05
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-oxo-1H-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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile (CID 17244521) is 6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile?
The InChIKey is OTKHLNMEHLPOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-4-2-5(3-7)9-6(10)8-4/h2H,1H3,(H,8,9,10).
What are the key properties of 6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile?
6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile has a molecular weight of 135.13 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile is sourced from PubChem (CID 17244521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).