(2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine

C12H13N5 — CID 121206857

IUPAC(2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine
SMILESNCc1cc(-c2cnccn2)nc(C2CC2)n1
InChIInChI=1S/C12H13N5/c13-6-9-5-10(11-7-14-3-4-15-11)17-12(16-9)8-1-2-8/h3-5,7-8H,1-2,6,13H2
InChIKeyXNOVAMIKMXBHIQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.27
Rot. Bonds3

About (2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine

(2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine (PubChem CID 121206857) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is (2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine
PubChem CID121206857
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name(2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine
SMILESNCc1cc(-c2cnccn2)nc(C2CC2)n1
InChIInChI=1S/C12H13N5/c13-6-9-5-10(11-7-14-3-4-15-11)17-12(16-9)8-1-2-8/h3-5,7-8H,1-2,6,13H2
InChIKeyXNOVAMIKMXBHIQ-UHFFFAOYSA-N
XLogP1.27
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-cyclopropyl-6-pyrazin-2-ylpyrimidin-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-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine?
The IUPAC name of (2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine (CID 121206857) is (2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine?
The canonical SMILES for (2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine is NCc1cc(-c2cnccn2)nc(C2CC2)n1.
What is the InChIKey of (2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine?
The InChIKey is XNOVAMIKMXBHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-6-9-5-10(11-7-14-3-4-15-11)17-12(16-9)8-1-2-8/h3-5,7-8H,1-2,6,13H2.
What are the key properties of (2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine?
(2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine has a molecular weight of 227.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 121206857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).