4-cyclobutyl-6-methylpyrimidin-2-amine

C9H13N3 — CID 116894620

IUPAC4-cyclobutyl-6-methylpyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(N)n1
InChIInChI=1S/C9H13N3/c1-6-5-8(7-3-2-4-7)12-9(10)11-6/h5,7H,2-4H2,1H3,(H2,10,11,12)
InChIKeyRSVZSRNMXVYWLA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.63
Rot. Bonds1

About 4-cyclobutyl-6-methylpyrimidin-2-amine

4-cyclobutyl-6-methylpyrimidin-2-amine (PubChem CID 116894620) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-cyclobutyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-6-methylpyrimidin-2-amine
PubChem CID116894620
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-cyclobutyl-6-methylpyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(N)n1
InChIInChI=1S/C9H13N3/c1-6-5-8(7-3-2-4-7)12-9(10)11-6/h5,7H,2-4H2,1H3,(H2,10,11,12)
InChIKeyRSVZSRNMXVYWLA-UHFFFAOYSA-N
XLogP1.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclobutyl-6-methylpyrimidin-2-amine 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-cyclobutyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-6-methylpyrimidin-2-amine (CID 116894620) is 4-cyclobutyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-6-methylpyrimidin-2-amine is Cc1cc(C2CCC2)nc(N)n1.
What is the InChIKey of 4-cyclobutyl-6-methylpyrimidin-2-amine?
The InChIKey is RSVZSRNMXVYWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-5-8(7-3-2-4-7)12-9(10)11-6/h5,7H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 4-cyclobutyl-6-methylpyrimidin-2-amine?
4-cyclobutyl-6-methylpyrimidin-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 116894620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).