1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea

C15H18N4O4S — CID 135462116

IUPAC1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea
SMILESCCCc1c(C)nc(NC(=O)NS(=O)(=O)c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H18N4O4S/c1-3-7-12-10(2)16-14(17-13(12)20)18-15(21)19-24(22,23)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyGMYFMEIBBQCVOB-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.54
Rot. Bonds5

About 1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea

1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea (PubChem CID 135462116) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea
PubChem CID135462116
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea
SMILESCCCc1c(C)nc(NC(=O)NS(=O)(=O)c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H18N4O4S/c1-3-7-12-10(2)16-14(17-13(12)20)18-15(21)19-24(22,23)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyGMYFMEIBBQCVOB-UHFFFAOYSA-N
XLogP1.54
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea?
The IUPAC name of 1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea (CID 135462116) is 1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea?
The canonical SMILES for 1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea is CCCc1c(C)nc(NC(=O)NS(=O)(=O)c2ccccc2)[nH]c1=O.
What is the InChIKey of 1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea?
The InChIKey is GMYFMEIBBQCVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-3-7-12-10(2)16-14(17-13(12)20)18-15(21)19-24(22,23)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea?
1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea has a molecular weight of 350.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 135462116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).