1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide

C9H13N3O5S — CID 154775362

IUPAC1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O5S/c1-5(2)18(16,17)11-8(14)6-4-12(3)9(15)10-7(6)13/h4-5H,1-3H3,(H,11,14)(H,10,13,15)
InChIKeyAITGOLASFKMQDV-UHFFFAOYSA-N
MW275.29 g/mol
LogP-1.46
Rot. Bonds3

About 1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide

1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide (PubChem CID 154775362) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide
PubChem CID154775362
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O5S/c1-5(2)18(16,17)11-8(14)6-4-12(3)9(15)10-7(6)13/h4-5H,1-3H3,(H,11,14)(H,10,13,15)
InChIKeyAITGOLASFKMQDV-UHFFFAOYSA-N
XLogP-1.46
TPSA118.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide
CID 819273
N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 25185739
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 164634372
3-(difluoromethyl)-3-[(1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]pentanoic acid
CID 166336736
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 166184194
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 163318729
ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 156724431
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 77084061
N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 146131432
5-(disulfanyl)-1-methylpyrimidine-2,4-dione
CID 123666794
1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide
CID 118790375
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 77094219

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide (CID 154775362) is 1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide is CC(C)S(=O)(=O)NC(=O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide?
The InChIKey is AITGOLASFKMQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-5(2)18(16,17)11-8(14)6-4-12(3)9(15)10-7(6)13/h4-5H,1-3H3,(H,11,14)(H,10,13,15).
What are the key properties of 1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide?
1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide has a molecular weight of 275.29 g/mol, XLogP of -1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide is sourced from PubChem (CID 154775362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).