(6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one

C24H19BrN2O2S — CID 95384564

IUPAC(6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one
SMILESCSC1=C(C(=O)c2ccc(Br)cc2)[C@@H](c2ccccc2)NC(=O)N1c1ccccc1
InChIInChI=1S/C24H19BrN2O2S/c1-30-23-20(22(28)17-12-14-18(25)15-13-17)21(16-8-4-2-5-9-16)26-24(29)27(23)19-10-6-3-7-11-19/h2-15,21H,1H3,(H,26,29)/t21-/m1/s1
InChIKeyKNLCMAFWOOLUPU-OAQYLSRUSA-N
MW479.40 g/mol
LogP6.18
Rot. Bonds5

About (6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one

(6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one (PubChem CID 95384564) has the molecular formula C24H19BrN2O2S and a molecular weight of 479.40 g/mol. Its IUPAC name is (6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one
PubChem CID95384564
Molecular FormulaC24H19BrN2O2S
Molecular Weight479.40 g/mol
Exact Mass478.04
IUPAC Name(6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one
SMILESCSC1=C(C(=O)c2ccc(Br)cc2)[C@@H](c2ccccc2)NC(=O)N1c1ccccc1
InChIInChI=1S/C24H19BrN2O2S/c1-30-23-20(22(28)17-12-14-18(25)15-13-17)21(16-8-4-2-5-9-16)26-24(29)27(23)19-10-6-3-7-11-19/h2-15,21H,1H3,(H,26,29)/t21-/m1/s1
InChIKeyKNLCMAFWOOLUPU-OAQYLSRUSA-N
XLogP6.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.40
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one with MolForge

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Related Compounds

(6S)-3-(3-bromophenyl)-N,N,4-trimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide
CID 97022509
[6-(4-bromophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-phenylmethanone
CID 110528787
5-(4-bromobenzoyl)-6-(3-bromophenyl)-3-phenyl-1,3-diazinane-2,4-dione
CID 42957318
3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 84573205
(6S,7R)-6,7-bis(4-bromophenyl)-3-phenyl-1,3-diazepane-2,4-dione
CID 102227392
[6-(4-bromophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-phenylmethanone
CID 3515563
5-(2-bromophenyl)-3-phenylimidazolidine-2,4-dione
CID 142772512
(4R)-5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 701290
ethyl (6S)-6-(4-bromophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 1363356
methyl 3-(4-methoxyphenyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 18171059
methyl (6S)-6-(4-bromophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 2455812
ethyl (6S)-3-benzyl-6-(4-bromophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1217465

Frequently Asked Questions

What is the IUPAC name of (6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one (CID 95384564) is (6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one is CSC1=C(C(=O)c2ccc(Br)cc2)[C@@H](c2ccccc2)NC(=O)N1c1ccccc1.
What is the InChIKey of (6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one?
The InChIKey is KNLCMAFWOOLUPU-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19BrN2O2S/c1-30-23-20(22(28)17-12-14-18(25)15-13-17)21(16-8-4-2-5-9-16)26-24(29)27(23)19-10-6-3-7-11-19/h2-15,21H,1H3,(H,26,29)/t21-/m1/s1.
What are the key properties of (6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one?
(6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one has a molecular weight of 479.40 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-(4-bromobenzoyl)-4-methylsulfanyl-3,6-diphenyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 95384564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).