5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one

C15H18N2O2 — CID 11737016

IUPAC5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
SMILESCCN1C(=O)NC(c2ccccc2)C(C(C)=O)=C1C
InChIInChI=1S/C15H18N2O2/c1-4-17-10(2)13(11(3)18)14(16-15(17)19)12-8-6-5-7-9-12/h5-9,14H,4H2,1-3H3,(H,16,19)
InChIKeyIKRJEKKSBMJDRD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.64
Rot. Bonds3

About 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one

5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one (PubChem CID 11737016) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
PubChem CID11737016
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
SMILESCCN1C(=O)NC(c2ccccc2)C(C(C)=O)=C1C
InChIInChI=1S/C15H18N2O2/c1-4-17-10(2)13(11(3)18)14(16-15(17)19)12-8-6-5-7-9-12/h5-9,14H,4H2,1-3H3,(H,16,19)
InChIKeyIKRJEKKSBMJDRD-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one
CID 8009207
ethyl 3-ethyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 6613464
(6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one
CID 16759650
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
3-ethyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 3758611
(6R)-3-ethyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 1480723
ethyl (6S)-3-butyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 92970738
2-phenylethyl 6-(4-chlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2867594
ethyl (6R)-6-(4-acetamidophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 809972
methyl (6S)-6-(4-chlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694303
methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate
CID 2917533

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one (CID 11737016) is 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one is CCN1C(=O)NC(c2ccccc2)C(C(C)=O)=C1C.
What is the InChIKey of 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one?
The InChIKey is IKRJEKKSBMJDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-17-10(2)13(11(3)18)14(16-15(17)19)12-8-6-5-7-9-12/h5-9,14H,4H2,1-3H3,(H,16,19).
What are the key properties of 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one?
5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 11737016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).