6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one

C16H14FN3O — CID 118448167

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCc1cc(-c2ncccc2C2=CCNC(=O)N2)ccc1F
InChIInChI=1S/C16H14FN3O/c1-10-9-11(4-5-13(10)17)15-12(3-2-7-18-15)14-6-8-19-16(21)20-14/h2-7,9H,8H2,1H3,(H2,19,20,21)
InChIKeyJYRPRQSAEXUOAA-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.85
Rot. Bonds2

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 118448167) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID118448167
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCc1cc(-c2ncccc2C2=CCNC(=O)N2)ccc1F
InChIInChI=1S/C16H14FN3O/c1-10-9-11(4-5-13(10)17)15-12(3-2-7-18-15)14-6-8-19-16(21)20-14/h2-7,9H,8H2,1H3,(H2,19,20,21)
InChIKeyJYRPRQSAEXUOAA-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one (CID 118448167) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one is Cc1cc(-c2ncccc2C2=CCNC(=O)N2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is JYRPRQSAEXUOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-9-11(4-5-13(10)17)15-12(3-2-7-18-15)14-6-8-19-16(21)20-14/h2-7,9H,8H2,1H3,(H2,19,20,21).
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 283.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 118448167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).