1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine

C11H12N4 — CID 62760396

IUPAC1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine
SMILESc1cncc(CNCc2ccncn2)c1
InChIInChI=1S/C11H12N4/c1-2-10(6-12-4-1)7-14-8-11-3-5-13-9-15-11/h1-6,9,14H,7-8H2
InChIKeyRFTSZMQJJDDXHD-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.16
Rot. Bonds4

About 1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine

1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine (PubChem CID 62760396) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine
PubChem CID62760396
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine
SMILESc1cncc(CNCc2ccncn2)c1
InChIInChI=1S/C11H12N4/c1-2-10(6-12-4-1)7-14-8-11-3-5-13-9-15-11/h1-6,9,14H,7-8H2
InChIKeyRFTSZMQJJDDXHD-UHFFFAOYSA-N
XLogP1.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)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 1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine?
The IUPAC name of 1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine (CID 62760396) is 1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine?
The canonical SMILES for 1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine is c1cncc(CNCc2ccncn2)c1.
What is the InChIKey of 1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine?
The InChIKey is RFTSZMQJJDDXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-10(6-12-4-1)7-14-8-11-3-5-13-9-15-11/h1-6,9,14H,7-8H2.
What are the key properties of 1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine?
1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine has a molecular weight of 200.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine is sourced from PubChem (CID 62760396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).