5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C14H16N2O2 — CID 20707073

IUPAC5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCC1=C(C(C)=O)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C14H16N2O2/c1-3-11-12(9(2)17)13(16-14(18)15-11)10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3,(H2,15,16,18)
InChIKeyHTMHNHADLOVDDW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.29
Rot. Bonds3

About 5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 20707073) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID20707073
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCC1=C(C(C)=O)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C14H16N2O2/c1-3-11-12(9(2)17)13(16-14(18)15-11)10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3,(H2,15,16,18)
InChIKeyHTMHNHADLOVDDW-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7379197
ethyl (4R)-6-(iodomethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1109021
methyl 6-ethyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 10755910
methyl 6-(anilinomethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110273786
(6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one
CID 8009207
butyl (4S)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7093845
5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
CID 11737016
methyl (4S)-6-ethyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 25397894
ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24564947
(4R)-5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 701290
ethyl (4S)-6-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 25481776
ethyl (4R)-6-[(4-hydroxybenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7866735

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 20707073) is 5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is CCC1=C(C(C)=O)C(c2ccccc2)NC(=O)N1.
What is the InChIKey of 5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is HTMHNHADLOVDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-11-12(9(2)17)13(16-14(18)15-11)10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3,(H2,15,16,18).
What are the key properties of 5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 244.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 20707073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).