1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide

C13H16N4O4S — CID 7475220

IUPAC1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2cccnc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H16N4O4S/c1-9-11(12(18)17(3)13(19)16(9)2)22(20,21)15-8-10-5-4-6-14-7-10/h4-7,15H,8H2,1-3H3
InChIKeyXCVUIYAFQSUENC-UHFFFAOYSA-N
MW324.36 g/mol
LogP-0.73
Rot. Bonds4

About 1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide

1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 7475220) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is 1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID7475220
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC Name1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2cccnc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H16N4O4S/c1-9-11(12(18)17(3)13(19)16(9)2)22(20,21)15-8-10-5-4-6-14-7-10/h4-7,15H,8H2,1-3H3
InChIKeyXCVUIYAFQSUENC-UHFFFAOYSA-N
XLogP-0.73
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 103171067
1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28671943
1,3,3,7-tetramethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-sulfonamide
CID 56731565
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 16761612
3-amino-4-fluoro-2,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 107325579
4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60984178
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43853556
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 51162022
N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
CID 43935847
4-(2-bromoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112086

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide (CID 7475220) is 1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide is Cc1c(S(=O)(=O)NCc2cccnc2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is XCVUIYAFQSUENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-9-11(12(18)17(3)13(19)16(9)2)22(20,21)15-8-10-5-4-6-14-7-10/h4-7,15H,8H2,1-3H3.
What are the key properties of 1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide?
1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 324.36 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 7475220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).