1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one

C15H15N3O — CID 141454447

IUPAC1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C15H15N3O/c19-14-4-1-2-11-18(14)13-7-5-12(6-8-13)15-16-9-3-10-17-15/h1-2,4-8,11H,3,9-10H2,(H,16,17)
InChIKeyORRIEIICIFMDRQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.58
Rot. Bonds2

About 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one

1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one (PubChem CID 141454447) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one
PubChem CID141454447
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C15H15N3O/c19-14-4-1-2-11-18(14)13-7-5-12(6-8-13)15-16-9-3-10-17-15/h1-2,4-8,11H,3,9-10H2,(H,16,17)
InChIKeyORRIEIICIFMDRQ-UHFFFAOYSA-N
XLogP1.58
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one?
The IUPAC name of 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one (CID 141454447) is 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one is O=c1ccccn1-c1ccc(C2=NCCCN2)cc1.
What is the InChIKey of 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one?
The InChIKey is ORRIEIICIFMDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-14-4-1-2-11-18(14)13-7-5-12(6-8-13)15-16-9-3-10-17-15/h1-2,4-8,11H,3,9-10H2,(H,16,17).
What are the key properties of 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one?
1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one has a molecular weight of 253.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one is sourced from PubChem (CID 141454447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).