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

C19H26N4O3S — CID 137404390

IUPAC1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCc1cc(C)nc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)n1
InChIInChI=1S/C19H26N4O3S/c1-11(2)15-8-7-9-16(12(3)4)17(15)22-18(24)23-27(25,26)19-20-13(5)10-14(6)21-19/h7-12H,1-6H3,(H2,22,23,24)
InChIKeyFHDRXVAAYPLNRV-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.85
Rot. Bonds5

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

1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea (PubChem CID 137404390) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
PubChem CID137404390
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCc1cc(C)nc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)n1
InChIInChI=1S/C19H26N4O3S/c1-11(2)15-8-7-9-16(12(3)4)17(15)22-18(24)23-27(25,26)19-20-13(5)10-14(6)21-19/h7-12H,1-6H3,(H2,22,23,24)
InChIKeyFHDRXVAAYPLNRV-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-[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-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 155076568
1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10711308
1-[2,6-di(propan-2-yl)phenyl]-3-(3-formylphenyl)sulfonylurea
CID 18461733
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-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea
CID 159236774
1-[2,6-di(propan-2-yl)phenyl]-3-[6-(methylamino)pyrimidin-4-yl]sulfonylurea
CID 155076518
CID 175753187
CID 175753187
(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-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea (CID 137404390) is 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea is Cc1cc(C)nc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is FHDRXVAAYPLNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-11(2)15-8-7-9-16(12(3)4)17(15)22-18(24)23-27(25,26)19-20-13(5)10-14(6)21-19/h7-12H,1-6H3,(H2,22,23,24).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea?
1-(4,6-dimethylpyrimidin-2-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-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 137404390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).