1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide

C12H14N4O4S — CID 18561545

IUPAC1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccccn2)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O4S/c1-15-8-10(11(17)16(2)12(15)18)21(19,20)14-7-9-5-3-4-6-13-9/h3-6,8,14H,7H2,1-2H3
InChIKeySDUVNBQKKRLJCY-UHFFFAOYSA-N
MW310.34 g/mol
LogP-1.04
Rot. Bonds4

About 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide

1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 18561545) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID18561545
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccccn2)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O4S/c1-15-8-10(11(17)16(2)12(15)18)21(19,20)14-7-9-5-3-4-6-13-9/h3-6,8,14H,7H2,1-2H3
InChIKeySDUVNBQKKRLJCY-UHFFFAOYSA-N
XLogP-1.04
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide (CID 18561545) is 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NCc2ccccn2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is SDUVNBQKKRLJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-15-8-10(11(17)16(2)12(15)18)21(19,20)14-7-9-5-3-4-6-13-9/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 310.34 g/mol, XLogP of -1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 18561545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).