[5-(2-methylpropyl)pyrimidin-2-yl]methanamine

C9H15N3 — CID 83695012

IUPAC[5-(2-methylpropyl)pyrimidin-2-yl]methanamine
SMILESCC(C)Cc1cnc(CN)nc1
InChIInChI=1S/C9H15N3/c1-7(2)3-8-5-11-9(4-10)12-6-8/h5-7H,3-4,10H2,1-2H3
InChIKeyUJPSNGMBSVMALZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.13
Rot. Bonds3

About [5-(2-methylpropyl)pyrimidin-2-yl]methanamine

[5-(2-methylpropyl)pyrimidin-2-yl]methanamine (PubChem CID 83695012) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is [5-(2-methylpropyl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methylpropyl)pyrimidin-2-yl]methanamine
PubChem CID83695012
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name[5-(2-methylpropyl)pyrimidin-2-yl]methanamine
SMILESCC(C)Cc1cnc(CN)nc1
InChIInChI=1S/C9H15N3/c1-7(2)3-8-5-11-9(4-10)12-6-8/h5-7H,3-4,10H2,1-2H3
InChIKeyUJPSNGMBSVMALZ-UHFFFAOYSA-N
XLogP1.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2-methylpropyl)pyrimidin-2-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 [5-(2-methylpropyl)pyrimidin-2-yl]methanamine?
The IUPAC name of [5-(2-methylpropyl)pyrimidin-2-yl]methanamine (CID 83695012) is [5-(2-methylpropyl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [5-(2-methylpropyl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [5-(2-methylpropyl)pyrimidin-2-yl]methanamine is CC(C)Cc1cnc(CN)nc1.
What is the InChIKey of [5-(2-methylpropyl)pyrimidin-2-yl]methanamine?
The InChIKey is UJPSNGMBSVMALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(2)3-8-5-11-9(4-10)12-6-8/h5-7H,3-4,10H2,1-2H3.
What are the key properties of [5-(2-methylpropyl)pyrimidin-2-yl]methanamine?
[5-(2-methylpropyl)pyrimidin-2-yl]methanamine has a molecular weight of 165.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 83695012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).