1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea

C13H15N5O5S2 — CID 15589809

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccnc2S(C)(=O)=O)n1
InChIInChI=1S/C13H15N5O5S2/c1-8-7-9(2)16-12(15-8)17-13(19)18-25(22,23)10-5-4-6-14-11(10)24(3,20)21/h4-7H,1-3H3,(H2,15,16,17,18,19)
InChIKeySLNZYGIGCMCEGB-UHFFFAOYSA-N
MW385.43 g/mol
LogP0.40
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea

1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea (PubChem CID 15589809) has the molecular formula C13H15N5O5S2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea
PubChem CID15589809
Molecular FormulaC13H15N5O5S2
Molecular Weight385.43 g/mol
Exact Mass385.05
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccnc2S(C)(=O)=O)n1
InChIInChI=1S/C13H15N5O5S2/c1-8-7-9(2)16-12(15-8)17-13(19)18-25(22,23)10-5-4-6-14-11(10)24(3,20)21/h4-7H,1-3H3,(H2,15,16,17,18,19)
InChIKeySLNZYGIGCMCEGB-UHFFFAOYSA-N
XLogP0.40
TPSA148.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea
CID 19377400
1-[(2-but-2-enoxy-3-pyridinyl)sulfonyl]-3-(4,6-dimethylpyrimidin-2-yl)urea
CID 70456862
1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]sulfonylurea
CID 1278810
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 19377379
1-(4,6-dimethylpyrimidin-2-yl)-3-(dimethylsulfamoyl)urea
CID 13191141
2-[[4-(dimethoxymethyl)-6-methylpyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid
CID 21274203
1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylurea
CID 139216279
1-(4-chloro-6-methylpyrimidin-2-yl)-3-(2-nitrophenyl)sulfonylurea
CID 19864749
1-[2-(dichloromethyl)phenyl]sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 13364616
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid
CID 19390517
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2-pyrazol-1-ylphenyl)sulfonylurea
CID 13489833

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea (CID 15589809) is 1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea is Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccnc2S(C)(=O)=O)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea?
The InChIKey is SLNZYGIGCMCEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O5S2/c1-8-7-9(2)16-12(15-8)17-13(19)18-25(22,23)10-5-4-6-14-11(10)24(3,20)21/h4-7H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea?
1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea has a molecular weight of 385.43 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-[(2-methylsulfonyl-3-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 15589809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).