2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one

C17H15N3O — CID 135753973

IUPAC2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(CCc2ccccc2)[nH]1
InChIInChI=1S/C17H15N3O/c21-17-12-15(14-8-10-18-11-9-14)19-16(20-17)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,19,20,21)
InChIKeyWODDOSVIBKSJFC-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.62
Rot. Bonds4

About 2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one

2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135753973) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135753973
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(CCc2ccccc2)[nH]1
InChIInChI=1S/C17H15N3O/c21-17-12-15(14-8-10-18-11-9-14)19-16(20-17)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,19,20,21)
InChIKeyWODDOSVIBKSJFC-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135753973) is 2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one is O=c1cc(-c2ccncc2)nc(CCc2ccccc2)[nH]1.
What is the InChIKey of 2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is WODDOSVIBKSJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17-12-15(14-8-10-18-11-9-14)19-16(20-17)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,19,20,21).
What are the key properties of 2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 277.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135753973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).