4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide

C14H18N4O4S — CID 7197662

IUPAC4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C14H18N4O4S/c1-9-4-6-10(7-5-9)8-16-23(21,22)11-12(15)17(2)14(20)18(3)13(11)19/h4-7,16H,8,15H2,1-3H3
InChIKeyPEUHJIGXQYBZNM-UHFFFAOYSA-N
MW338.39 g/mol
LogP-0.55
Rot. Bonds4

About 4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide

4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide (PubChem CID 7197662) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide
PubChem CID7197662
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C14H18N4O4S/c1-9-4-6-10(7-5-9)8-16-23(21,22)11-12(15)17(2)14(20)18(3)13(11)19/h4-7,16H,8,15H2,1-3H3
InChIKeyPEUHJIGXQYBZNM-UHFFFAOYSA-N
XLogP-0.55
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide (CID 7197662) is 4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide is Cc1ccc(CNS(=O)(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide?
The InChIKey is PEUHJIGXQYBZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-9-4-6-10(7-5-9)8-16-23(21,22)11-12(15)17(2)14(20)18(3)13(11)19/h4-7,16H,8,15H2,1-3H3.
What are the key properties of 4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide?
4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide has a molecular weight of 338.39 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7197662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).