phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone

C17H14N4O — CID 134539190

IUPACphenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1ccccc1)c1cnc(NCc2cccnc2)nc1
InChIInChI=1S/C17H14N4O/c22-16(14-6-2-1-3-7-14)15-11-20-17(21-12-15)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,19,20,21)
InChIKeyGPZIOKLXQPNWCJ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.71
Rot. Bonds5

About phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone

phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone (PubChem CID 134539190) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
PubChem CID134539190
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Namephenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1ccccc1)c1cnc(NCc2cccnc2)nc1
InChIInChI=1S/C17H14N4O/c22-16(14-6-2-1-3-7-14)15-11-20-17(21-12-15)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,19,20,21)
InChIKeyGPZIOKLXQPNWCJ-UHFFFAOYSA-N
XLogP2.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone 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 phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone (CID 134539190) is phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone is O=C(c1ccccc1)c1cnc(NCc2cccnc2)nc1.
What is the InChIKey of phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The InChIKey is GPZIOKLXQPNWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-16(14-6-2-1-3-7-14)15-11-20-17(21-12-15)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,19,20,21).
What are the key properties of phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone has a molecular weight of 290.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 134539190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).