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

C21H24N4O4S — CID 26531319

IUPACN-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
SMILESCCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C21H24N4O4S/c1-4-16-7-9-17(10-8-16)13-25(14-18-6-5-11-22-12-18)30(28,29)19-15-23(2)21(27)24(3)20(19)26/h5-12,15H,4,13-14H2,1-3H3
InChIKeyLTNZPBULEXOTCU-UHFFFAOYSA-N
MW428.51 g/mol
LogP1.43
Rot. Bonds7

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

N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 26531319) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID26531319
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
SMILESCCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C21H24N4O4S/c1-4-16-7-9-17(10-8-16)13-25(14-18-6-5-11-22-12-18)30(28,29)19-15-23(2)21(27)24(3)20(19)26/h5-12,15H,4,13-14H2,1-3H3
InChIKeyLTNZPBULEXOTCU-UHFFFAOYSA-N
XLogP1.43
TPSA94.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-Azido-3-[(3,5-dimethylphenyl)methyl]-1-(4-pyridylmethyl)pyrimidine-2,4-dione
CID 72164339
6-Amino-3-[(3,5-dimethylphenyl)methyl]-1-(4-pyridylmethyl)pyrimidine-2,4-dione
CID 72164342
6-benzyl-8-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
CID 10158248
6-benzyl-8-methyl-5,7-dioxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
CID 10201365
3-Piperidin-1-ylsulfonyl-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 51364603
3-[(3,5-Dimethylphenyl)methyl]-1-(4-pyridylmethyl)pyrimidine-2,4-dione
CID 11493504
3-[(3,5-Dimethylphenyl)methyl]-1-(3-pyridylmethyl)pyrimidine-2,4-dione
CID 11573324
3-[(3,5-Dimethylphenyl)methyl]-1-(2-pyridylmethyl)pyrimidine-2,4-dione
CID 11659776
6-methyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 691544
6-methyl-2,4-dioxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrimidine-5-sulfonamide
CID 4071558
1-[(2,4-Difluorophenyl)methyl]-3-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione
CID 4153823
6-[(3-fluorophenyl)methyl]-8-methyl-5,7-dioxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
CID 69620106

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide (CID 26531319) is N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide is CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is LTNZPBULEXOTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-4-16-7-9-17(10-8-16)13-25(14-18-6-5-11-22-12-18)30(28,29)19-15-23(2)21(27)24(3)20(19)26/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide?
N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 428.51 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 26531319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).