2-deuterio-4-methylpyrimidine

C5H6N2 — CID 59374871

IUPAC2-deuterio-4-methylpyrimidine
SMILES[2H]c1nccc(C)n1
InChIInChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3/i4D
InChIKeyLVILGAOSPDLNRM-QYKNYGDISA-N
MW95.12 g/mol
LogP0.79
Rot. Bonds

About 2-deuterio-4-methylpyrimidine

2-deuterio-4-methylpyrimidine (PubChem CID 59374871) has the molecular formula C5H6N2 and a molecular weight of 95.12 g/mol. Its IUPAC name is 2-deuterio-4-methylpyrimidine.

Molecular Properties

Compound Name2-deuterio-4-methylpyrimidine
PubChem CID59374871
Molecular FormulaC5H6N2
Molecular Weight95.12 g/mol
Exact Mass95.06
IUPAC Name2-deuterio-4-methylpyrimidine
SMILES[2H]c1nccc(C)n1
InChIInChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3/i4D
InChIKeyLVILGAOSPDLNRM-QYKNYGDISA-N
XLogP0.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.12
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-deuterio-4-methylpyrimidine 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 2-deuterio-4-methylpyrimidine?
The IUPAC name of 2-deuterio-4-methylpyrimidine (CID 59374871) is 2-deuterio-4-methylpyrimidine.
What is the SMILES notation for 2-deuterio-4-methylpyrimidine?
The canonical SMILES for 2-deuterio-4-methylpyrimidine is [2H]c1nccc(C)n1.
What is the InChIKey of 2-deuterio-4-methylpyrimidine?
The InChIKey is LVILGAOSPDLNRM-QYKNYGDISA-N. The full InChI is InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3/i4D.
What are the key properties of 2-deuterio-4-methylpyrimidine?
2-deuterio-4-methylpyrimidine has a molecular weight of 95.12 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4-methylpyrimidine is sourced from PubChem (CID 59374871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).