5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C14H15ClN2O3 — CID 102385232

IUPAC5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCOC1NC(=O)NC(C)=C1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O3/c1-3-20-13-11(8(2)16-14(19)17-13)12(18)9-4-6-10(15)7-5-9/h4-7,13H,3H2,1-2H3,(H2,16,17,19)
InChIKeyKGHJNOUSFKPAMH-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.47
Rot. Bonds4

About 5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 102385232) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID102385232
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCOC1NC(=O)NC(C)=C1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O3/c1-3-20-13-11(8(2)16-14(19)17-13)12(18)9-4-6-10(15)7-5-9/h4-7,13H,3H2,1-2H3,(H2,16,17,19)
InChIKeyKGHJNOUSFKPAMH-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7858259
(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700
(4S)-5-(4-chlorobenzoyl)-6-methyl-4-(5-methylthiophen-2-yl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7858333
(4S)-4-(4-tert-butylphenyl)-5-(4-chlorobenzoyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7870441
(4R)-5-(4-chlorobenzoyl)-6-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7870448
5-(4-chlorobenzoyl)-4-[4-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 3928414
(4R)-5-(4-chlorobenzoyl)-4-(2-chloro-6-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7733563
(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7859917
(4S)-5-(4-chlorobenzoyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 7715483
(4S)-4-(1,3-benzodioxol-5-yl)-5-(4-chlorobenzoyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7858271
ethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2817097
(4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7798146

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 102385232) is 5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CCOC1NC(=O)NC(C)=C1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is KGHJNOUSFKPAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-3-20-13-11(8(2)16-14(19)17-13)12(18)9-4-6-10(15)7-5-9/h4-7,13H,3H2,1-2H3,(H2,16,17,19).
What are the key properties of 5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 294.74 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobenzoyl)-4-ethoxy-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 102385232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).