6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine

C17H16N4O — CID 91800519

IUPAC6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOCc1cc(Nc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H16N4O/c1-22-12-14-11-16(19-13-7-3-2-4-8-13)21-17(20-14)15-9-5-6-10-18-15/h2-11H,12H2,1H3,(H,19,20,21)
InChIKeyXQSLXKHTFKSYQW-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.43
Rot. Bonds5

About 6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine

6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 91800519) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID91800519
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOCc1cc(Nc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H16N4O/c1-22-12-14-11-16(19-13-7-3-2-4-8-13)21-17(20-14)15-9-5-6-10-18-15/h2-11H,12H2,1H3,(H,19,20,21)
InChIKeyXQSLXKHTFKSYQW-UHFFFAOYSA-N
XLogP3.43
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-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 6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine (CID 91800519) is 6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine is COCc1cc(Nc2ccccc2)nc(-c2ccccn2)n1.
What is the InChIKey of 6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is XQSLXKHTFKSYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-12-14-11-16(19-13-7-3-2-4-8-13)21-17(20-14)15-9-5-6-10-18-15/h2-11H,12H2,1H3,(H,19,20,21).
What are the key properties of 6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 292.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 91800519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).