4-methylpyrimidine

C5H6N2 — CID 18922

IUPAC4-methylpyrimidine
SMILESCc1ccncn1
InChIInChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3
InChIKeyLVILGAOSPDLNRM-UHFFFAOYSA-N
MW94.12 g/mol
LogP0.79
Rot. Bonds

About 4-methylpyrimidine

4-methylpyrimidine (PubChem CID 18922) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 4-methylpyrimidine.

Molecular Properties

Compound Name4-methylpyrimidine
PubChem CID18922
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name4-methylpyrimidine
SMILESCc1ccncn1
InChIInChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3
InChIKeyLVILGAOSPDLNRM-UHFFFAOYSA-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 ≤ 50094.12
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyrimidine?
The IUPAC name of 4-methylpyrimidine (CID 18922) is 4-methylpyrimidine.
What is the SMILES notation for 4-methylpyrimidine?
The canonical SMILES for 4-methylpyrimidine is Cc1ccncn1.
What is the InChIKey of 4-methylpyrimidine?
The InChIKey is LVILGAOSPDLNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3.
What are the key properties of 4-methylpyrimidine?
4-methylpyrimidine has a molecular weight of 94.12 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 4-methylpyrimidine is sourced from PubChem (CID 18922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).