4,6-dimethylpyrimidine-2-carbonitrile

C7H7N3 — CID 870742

IUPAC4,6-dimethylpyrimidine-2-carbonitrile
SMILESCc1cc(C)nc(C#N)n1
InChIInChI=1S/C7H7N3/c1-5-3-6(2)10-7(4-8)9-5/h3H,1-2H3
InChIKeyUJUJKEOTNKJDHF-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.97
Rot. Bonds

About 4,6-dimethylpyrimidine-2-carbonitrile

4,6-dimethylpyrimidine-2-carbonitrile (PubChem CID 870742) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 4,6-dimethylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4,6-dimethylpyrimidine-2-carbonitrile
PubChem CID870742
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name4,6-dimethylpyrimidine-2-carbonitrile
SMILESCc1cc(C)nc(C#N)n1
InChIInChI=1S/C7H7N3/c1-5-3-6(2)10-7(4-8)9-5/h3H,1-2H3
InChIKeyUJUJKEOTNKJDHF-UHFFFAOYSA-N
XLogP0.97
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethylpyrimidine-2-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 4,6-dimethylpyrimidine-2-carbonitrile?
The IUPAC name of 4,6-dimethylpyrimidine-2-carbonitrile (CID 870742) is 4,6-dimethylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4,6-dimethylpyrimidine-2-carbonitrile?
The canonical SMILES for 4,6-dimethylpyrimidine-2-carbonitrile is Cc1cc(C)nc(C#N)n1.
What is the InChIKey of 4,6-dimethylpyrimidine-2-carbonitrile?
The InChIKey is UJUJKEOTNKJDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-5-3-6(2)10-7(4-8)9-5/h3H,1-2H3.
What are the key properties of 4,6-dimethylpyrimidine-2-carbonitrile?
4,6-dimethylpyrimidine-2-carbonitrile has a molecular weight of 133.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrimidine-2-carbonitrile is sourced from PubChem (CID 870742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).