N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine

C12H14N4 — CID 63556163

IUPACN-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(-c2cccc(C)n2)nc1
InChIInChI=1S/C12H14N4/c1-9-4-3-5-11(16-9)12-14-7-10(6-13-2)8-15-12/h3-5,7-8,13H,6H2,1-2H3
InChIKeyCVFOWFPDNKAIHE-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.57
Rot. Bonds3

About N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine

N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine (PubChem CID 63556163) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine
PubChem CID63556163
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(-c2cccc(C)n2)nc1
InChIInChI=1S/C12H14N4/c1-9-4-3-5-11(16-9)12-14-7-10(6-13-2)8-15-12/h3-5,7-8,13H,6H2,1-2H3
InChIKeyCVFOWFPDNKAIHE-UHFFFAOYSA-N
XLogP1.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-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 N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine (CID 63556163) is N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine is CNCc1cnc(-c2cccc(C)n2)nc1.
What is the InChIKey of N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine?
The InChIKey is CVFOWFPDNKAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-4-3-5-11(16-9)12-14-7-10(6-13-2)8-15-12/h3-5,7-8,13H,6H2,1-2H3.
What are the key properties of N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine?
N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine has a molecular weight of 214.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 63556163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).