3-phenyl-1-pyrimidin-4-ylpropan-1-one

C13H12N2O — CID 63989966

IUPAC3-phenyl-1-pyrimidin-4-ylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccncn1
InChIInChI=1S/C13H12N2O/c16-13(12-8-9-14-10-15-12)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyZDIYUFHVKQIKNU-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.29
Rot. Bonds4

About 3-phenyl-1-pyrimidin-4-ylpropan-1-one

3-phenyl-1-pyrimidin-4-ylpropan-1-one (PubChem CID 63989966) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-phenyl-1-pyrimidin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-phenyl-1-pyrimidin-4-ylpropan-1-one
PubChem CID63989966
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-phenyl-1-pyrimidin-4-ylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccncn1
InChIInChI=1S/C13H12N2O/c16-13(12-8-9-14-10-15-12)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyZDIYUFHVKQIKNU-UHFFFAOYSA-N
XLogP2.29
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one
CID 46231612
6-(3-phenylpropanoyl)pyridine-3-carbaldehyde
CID 19754544
3-phenyl-1-[3-(pyrimidin-4-ylamino)azetidin-1-yl]propan-1-one
CID 166315716
N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 142259175
1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one
CID 67793619
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114
1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 167534942
benzoic acid;pyrimidine-4-carboxamide
CID 174949341
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
(2-hydroxyphenyl)-pyrimidin-4-ylmethanone
CID 173459739
3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one
CID 105085399

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-pyrimidin-4-ylpropan-1-one?
The IUPAC name of 3-phenyl-1-pyrimidin-4-ylpropan-1-one (CID 63989966) is 3-phenyl-1-pyrimidin-4-ylpropan-1-one.
What is the SMILES notation for 3-phenyl-1-pyrimidin-4-ylpropan-1-one?
The canonical SMILES for 3-phenyl-1-pyrimidin-4-ylpropan-1-one is O=C(CCc1ccccc1)c1ccncn1.
What is the InChIKey of 3-phenyl-1-pyrimidin-4-ylpropan-1-one?
The InChIKey is ZDIYUFHVKQIKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13(12-8-9-14-10-15-12)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2.
What are the key properties of 3-phenyl-1-pyrimidin-4-ylpropan-1-one?
3-phenyl-1-pyrimidin-4-ylpropan-1-one has a molecular weight of 212.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-pyrimidin-4-ylpropan-1-one is sourced from PubChem (CID 63989966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).