(2-methylpyrimidin-4-yl)methanamine

C6H9N3 — CID 25323795

IUPAC(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(CN)n1
InChIInChI=1S/C6H9N3/c1-5-8-3-2-6(4-7)9-5/h2-3H,4,7H2,1H3
InChIKeyMMQVVRGYBJLXIL-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.24
Rot. Bonds1

About (2-methylpyrimidin-4-yl)methanamine

(2-methylpyrimidin-4-yl)methanamine (PubChem CID 25323795) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)methanamine
PubChem CID25323795
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(CN)n1
InChIInChI=1S/C6H9N3/c1-5-8-3-2-6(4-7)9-5/h2-3H,4,7H2,1H3
InChIKeyMMQVVRGYBJLXIL-UHFFFAOYSA-N
XLogP0.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-methylpyrimidin-4-yl)methanamine 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-methylpyrimidin-4-yl)methanamine?
The IUPAC name of (2-methylpyrimidin-4-yl)methanamine (CID 25323795) is (2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for (2-methylpyrimidin-4-yl)methanamine is Cc1nccc(CN)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)methanamine?
The InChIKey is MMQVVRGYBJLXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-8-3-2-6(4-7)9-5/h2-3H,4,7H2,1H3.
What are the key properties of (2-methylpyrimidin-4-yl)methanamine?
(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 123.16 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 25323795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).