(6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one

C18H16FN3O3 — CID 2304039

IUPAC(6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one
SMILESCC1=C([N+](=O)[O-])[C@@H](c2ccccc2F)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H16FN3O3/c1-12-17(22(24)25)16(14-9-5-6-10-15(14)19)20-18(23)21(12)11-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyBOQYVZWHKUVROY-MRXNPFEDSA-N
MW341.34 g/mol
LogP3.60
Rot. Bonds4

About (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one

(6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one (PubChem CID 2304039) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one
PubChem CID2304039
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name(6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one
SMILESCC1=C([N+](=O)[O-])[C@@H](c2ccccc2F)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H16FN3O3/c1-12-17(22(24)25)16(14-9-5-6-10-15(14)19)20-18(23)21(12)11-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyBOQYVZWHKUVROY-MRXNPFEDSA-N
XLogP3.60
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-fluorophenyl)-3,4-dimethyl-5-nitro-1,6-dihydropyrimidin-2-one
CID 3657424
3-benzyl-6-(3,4-dimethoxyphenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one
CID 21177711
propan-2-yl (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2304044
2-methoxyethyl 3-benzyl-6-(2-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 3423903
ethyl 3-benzyl-6-(2,4-difluoro-5-nitrophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 55834060
propan-2-yl 3-benzyl-4-methyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 21177722
ethyl (6S)-3-benzyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1192383
3-benzyl-6-(2-fluorophenyl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 4969112
(6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one
CID 6990709
3,4-dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one
CID 2831697
1-benzyl-3-(2-fluorophenyl)-4-nitropyrrolidine
CID 66692520
ethyl 3-benzyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 5461681

Frequently Asked Questions

What is the IUPAC name of (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one (CID 2304039) is (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one is CC1=C([N+](=O)[O-])[C@@H](c2ccccc2F)NC(=O)N1Cc1ccccc1.
What is the InChIKey of (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one?
The InChIKey is BOQYVZWHKUVROY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-12-17(22(24)25)16(14-9-5-6-10-15(14)19)20-18(23)21(12)11-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one?
(6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one has a molecular weight of 341.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-benzyl-6-(2-fluorophenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 2304039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).