(4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C19H16F2N2O3 — CID 7714979

IUPAC(4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OC(F)F)NC(=O)N1
InChIInChI=1S/C19H16F2N2O3/c1-11-15(17(24)12-7-3-2-4-8-12)16(23-19(25)22-11)13-9-5-6-10-14(13)26-18(20)21/h2-10,16,18H,1H3,(H2,22,23,25)/t16-/m0/s1
InChIKeyZVRMCTQEUNROMA-INIZCTEOSA-N
MW358.34 g/mol
LogP3.80
Rot. Bonds5

About (4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

(4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 7714979) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is (4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID7714979
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name(4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OC(F)F)NC(=O)N1
InChIInChI=1S/C19H16F2N2O3/c1-11-15(17(24)12-7-3-2-4-8-12)16(23-19(25)22-11)13-9-5-6-10-14(13)26-18(20)21/h2-10,16,18H,1H3,(H2,22,23,25)/t16-/m0/s1
InChIKeyZVRMCTQEUNROMA-INIZCTEOSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7798146
(4S)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8652681
(4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 41039318
(4R)-5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 701290
(4R)-5-benzoyl-4-(2,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7800722
5-(4-chlorobenzoyl)-4-[4-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 3928414
(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700
benzyl (4S)-6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1351853
(4R)-5-benzoyl-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 7720649
(4R)-5-benzoyl-6-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7817242
2-amino-4-[2-(difluoromethoxy)phenyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 150804652
propan-2-yl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2854869

Frequently Asked Questions

What is the IUPAC name of (4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 7714979) is (4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OC(F)F)NC(=O)N1.
What is the InChIKey of (4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is ZVRMCTQEUNROMA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c1-11-15(17(24)12-7-3-2-4-8-12)16(23-19(25)22-11)13-9-5-6-10-14(13)26-18(20)21/h2-10,16,18H,1H3,(H2,22,23,25)/t16-/m0/s1.
What are the key properties of (4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
(4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 358.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 7714979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).