(6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one

C15H17FN2O2 — CID 16759653

IUPAC(6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one
SMILESCCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(C)=O)=C1C
InChIInChI=1S/C15H17FN2O2/c1-4-18-9(2)13(10(3)19)14(17-15(18)20)11-6-5-7-12(16)8-11/h5-8,14H,4H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyUANWSAUTGIACBR-AWEZNQCLSA-N
MW276.31 g/mol
LogP2.77
Rot. Bonds3

About (6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one

(6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one (PubChem CID 16759653) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is (6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one
PubChem CID16759653
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name(6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one
SMILESCCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(C)=O)=C1C
InChIInChI=1S/C15H17FN2O2/c1-4-18-9(2)13(10(3)19)14(17-15(18)20)11-6-5-7-12(16)8-11/h5-8,14H,4H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyUANWSAUTGIACBR-AWEZNQCLSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-Methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone
CID 2830908
5-acetyl-4,6-diphenyl-3,4-dihydro-2(1H)-pyrimidinone
CID 2987521
1,2,3,4,5,6,7,8-Octahydro-4-phenylquinazoline-2,5-dione
CID 4566093
5-Acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 592640
(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxamide
CID 10649481
(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 10767264
(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-3,6-dimethyl-2-oxo-1,4-dihydropyrimidine-5-carboxamide
CID 10815240
(6R)-6-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 10839105
(6R)-6-(3,4-difluorophenyl)-N-[3-[4-(3,4-difluorophenyl)piperidin-1-yl]propyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 137646446
4-(2-Fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 2912658
(4S)-5-acetyl-1-(2-methoxyethyl)-3,6-dimethyl-4-phenyl-4H-pyrimidin-2-one
CID 16745557
(4S)-5-Acetyl-1-ethyl-3,4-dihydro-3,6-dimethyl-4-phenyl-2(1H)-pyrimidinone
CID 16759665

Frequently Asked Questions

What is the IUPAC name of (6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one (CID 16759653) is (6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one is CCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(C)=O)=C1C.
What is the InChIKey of (6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one?
The InChIKey is UANWSAUTGIACBR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-4-18-9(2)13(10(3)19)14(17-15(18)20)11-6-5-7-12(16)8-11/h5-8,14H,4H2,1-3H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one?
(6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one has a molecular weight of 276.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-acetyl-3-ethyl-6-(3-fluorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 16759653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).