1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea

C18H24N4O3S — CID 137404425

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea
SMILESCc1cnc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)nc1
InChIInChI=1S/C18H24N4O3S/c1-11(2)14-7-6-8-15(12(3)4)16(14)21-17(23)22-26(24,25)18-19-9-13(5)10-20-18/h6-12H,1-5H3,(H2,21,22,23)
InChIKeyCBHLUCQLTHBCGX-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.54
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea

1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea (PubChem CID 137404425) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea
PubChem CID137404425
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea
SMILESCc1cnc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)nc1
InChIInChI=1S/C18H24N4O3S/c1-11(2)14-7-6-8-15(12(3)4)16(14)21-17(23)22-26(24,25)18-19-9-13(5)10-20-18/h6-12H,1-5H3,(H2,21,22,23)
InChIKeyCBHLUCQLTHBCGX-UHFFFAOYSA-N
XLogP3.54
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 137404422
1-[2,6-di(propan-2-yl)phenyl]-3-(5-phenylpyrimidin-2-yl)sulfonylurea
CID 137403389
1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 137404390
1-(5-acetylpyrimidin-2-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 158391071
1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 155076568
CID 175753187
CID 175753187
1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10711308
1-[2,6-di(propan-2-yl)phenyl]-3-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]urea
CID 138571866
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea
CID 155068943
1-[2,6-di(propan-2-yl)phenyl]-3-(3-formylphenyl)sulfonylurea
CID 18461733
1-[2,6-di(propan-2-yl)phenyl]-3-[6-(methylamino)pyrimidin-4-yl]sulfonylurea
CID 155076518

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea (CID 137404425) is 1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea is Cc1cnc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)nc1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea?
The InChIKey is CBHLUCQLTHBCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-11(2)14-7-6-8-15(12(3)4)16(14)21-17(23)22-26(24,25)18-19-9-13(5)10-20-18/h6-12H,1-5H3,(H2,21,22,23).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea?
1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea has a molecular weight of 376.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea is sourced from PubChem (CID 137404425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).