1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide

C16H21N3O4S — CID 26531792

IUPAC1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide
SMILESCC[C@@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1
InChIInChI=1S/C16H21N3O4S/c1-4-12(13-8-6-5-7-9-13)10-17-24(22,23)14-11-18(2)16(21)19(3)15(14)20/h5-9,11-12,17H,4,10H2,1-3H3/t12-/m0/s1
InChIKeyQTLMDMIFGVFAEK-LBPRGKRZSA-N
MW351.43 g/mol
LogP0.56
Rot. Bonds6

About 1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide

1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide (PubChem CID 26531792) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide
PubChem CID26531792
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide
SMILESCC[C@@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1
InChIInChI=1S/C16H21N3O4S/c1-4-12(13-8-6-5-7-9-13)10-17-24(22,23)14-11-18(2)16(21)19(3)15(14)20/h5-9,11-12,17H,4,10H2,1-3H3/t12-/m0/s1
InChIKeyQTLMDMIFGVFAEK-LBPRGKRZSA-N
XLogP0.56
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide with MolForge

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Related Compounds

N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 51307194
N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 119976016
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336
N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 93084014
1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 114616428
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26531239
N-(2-chloroprop-2-enyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 115638560
N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106843925
N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107319460
N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106141539
N-[2-(3-chlorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26529237

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide (CID 26531792) is 1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide is CC[C@@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide?
The InChIKey is QTLMDMIFGVFAEK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-4-12(13-8-6-5-7-9-13)10-17-24(22,23)14-11-18(2)16(21)19(3)15(14)20/h5-9,11-12,17H,4,10H2,1-3H3/t12-/m0/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 26531792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).