1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea

C19H26N4O3S — CID 155076568

IUPAC1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCc1ncc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)n1
InChIInChI=1S/C19H26N4O3S/c1-11(2)15-8-7-9-16(12(3)4)18(15)22-19(24)23-27(25,26)17-10-20-14(6)21-13(17)5/h7-12H,1-6H3,(H2,22,23,24)
InChIKeyFRFPMMKKKURHKL-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.85
Rot. Bonds5

About 1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea

1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea (PubChem CID 155076568) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
PubChem CID155076568
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCc1ncc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)n1
InChIInChI=1S/C19H26N4O3S/c1-11(2)15-8-7-9-16(12(3)4)18(15)22-19(24)23-27(25,26)17-10-20-14(6)21-13(17)5/h7-12H,1-6H3,(H2,22,23,24)
InChIKeyFRFPMMKKKURHKL-UHFFFAOYSA-N
XLogP3.85
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea
CID 137404425
1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 137404390
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
CID 175753187
CID 175753187
1-[2,6-di(propan-2-yl)phenyl]-3-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]urea
CID 138571866
1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10711308
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-chloro-5-(1-hydroxyethyl)phenyl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 18461696
1-[2,6-di(propan-2-yl)phenyl]-3-[6-(methylamino)pyrimidin-4-yl]sulfonylurea
CID 155076518
(2,6-dimethylphenyl) N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]sulfamate
CID 54066253

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea (CID 155076568) is 1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea is Cc1ncc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)n1.
What is the InChIKey of 1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is FRFPMMKKKURHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-11(2)15-8-7-9-16(12(3)4)18(15)22-19(24)23-27(25,26)17-10-20-14(6)21-13(17)5/h7-12H,1-6H3,(H2,22,23,24).
What are the key properties of 1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea?
1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 390.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 155076568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).