1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile

C8H9N3O — CID 124908091

IUPAC1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile
SMILESCCn1c(C)ncc(C#N)c1=O
InChIInChI=1S/C8H9N3O/c1-3-11-6(2)10-5-7(4-9)8(11)12/h5H,3H2,1-2H3
InChIKeyJRQLITDOCYHXRC-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.44
Rot. Bonds1

About 1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile

1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile (PubChem CID 124908091) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile
PubChem CID124908091
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile
SMILESCCn1c(C)ncc(C#N)c1=O
InChIInChI=1S/C8H9N3O/c1-3-11-6(2)10-5-7(4-9)8(11)12/h5H,3H2,1-2H3
InChIKeyJRQLITDOCYHXRC-UHFFFAOYSA-N
XLogP0.44
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-2-methyl-6-oxopyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile?
The IUPAC name of 1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile (CID 124908091) is 1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile is CCn1c(C)ncc(C#N)c1=O.
What is the InChIKey of 1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile?
The InChIKey is JRQLITDOCYHXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-3-11-6(2)10-5-7(4-9)8(11)12/h5H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile?
1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-6-oxopyrimidine-5-carbonitrile is sourced from PubChem (CID 124908091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).