1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea

C14H16N4O4S — CID 110191765

IUPAC1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2nc(C)cc(=O)n2C)cc1
InChIInChI=1S/C14H16N4O4S/c1-9-4-6-11(7-5-9)23(21,22)17-14(20)16-13-15-10(2)8-12(19)18(13)3/h4-8H,1-3H3,(H2,15,16,17,20)
InChIKeyQSKFQFOZRWATKV-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.91
Rot. Bonds3

About 1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea

1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 110191765) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea
PubChem CID110191765
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2nc(C)cc(=O)n2C)cc1
InChIInChI=1S/C14H16N4O4S/c1-9-4-6-11(7-5-9)23(21,22)17-14(20)16-13-15-10(2)8-12(19)18(13)3/h4-8H,1-3H3,(H2,15,16,17,20)
InChIKeyQSKFQFOZRWATKV-UHFFFAOYSA-N
XLogP0.91
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea
CID 78269792
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
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1-[2-methyl-4-[3-methyl-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 4151875
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea
CID 10620700
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)sulfonylacetamide
CID 135964006
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phosphonic acid
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1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 2375417

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea (CID 110191765) is 1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2nc(C)cc(=O)n2C)cc1.
What is the InChIKey of 1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is QSKFQFOZRWATKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-9-4-6-11(7-5-9)23(21,22)17-14(20)16-13-15-10(2)8-12(19)18(13)3/h4-8H,1-3H3,(H2,15,16,17,20).
What are the key properties of 1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea?
1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 336.37 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 110191765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).