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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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).