6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one

C13H15FN2O — CID 175975705

IUPAC6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(C)C1C=C(c2ccc(F)cc2)NC(=O)N1
InChIInChI=1S/C13H15FN2O/c1-8(2)11-7-12(16-13(17)15-11)9-3-5-10(14)6-4-9/h3-8,11H,1-2H3,(H2,15,16,17)
InChIKeyHTKIFDBGIYJBSZ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.50
Rot. Bonds2

About 6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one

6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 175975705) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID175975705
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(C)C1C=C(c2ccc(F)cc2)NC(=O)N1
InChIInChI=1S/C13H15FN2O/c1-8(2)11-7-12(16-13(17)15-11)9-3-5-10(14)6-4-9/h3-8,11H,1-2H3,(H2,15,16,17)
InChIKeyHTKIFDBGIYJBSZ-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 175975705) is 6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one is CC(C)C1C=C(c2ccc(F)cc2)NC(=O)N1.
What is the InChIKey of 6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is HTKIFDBGIYJBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8(2)11-7-12(16-13(17)15-11)9-3-5-10(14)6-4-9/h3-8,11H,1-2H3,(H2,15,16,17).
What are the key properties of 6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 234.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 175975705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).