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

C19H27N5O3S — CID 137404422

IUPAC1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1ncc(N(C)C)cn1
InChIInChI=1S/C19H27N5O3S/c1-12(2)15-8-7-9-16(13(3)4)17(15)22-18(25)23-28(26,27)19-20-10-14(11-21-19)24(5)6/h7-13H,1-6H3,(H2,22,23,25)
InChIKeyNWRQOTLOTLDSEB-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.30
Rot. Bonds6

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

1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea (PubChem CID 137404422) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
PubChem CID137404422
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1ncc(N(C)C)cn1
InChIInChI=1S/C19H27N5O3S/c1-12(2)15-8-7-9-16(13(3)4)17(15)22-18(25)23-28(26,27)19-20-10-14(11-21-19)24(5)6/h7-13H,1-6H3,(H2,22,23,25)
InChIKeyNWRQOTLOTLDSEB-UHFFFAOYSA-N
XLogP3.30
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea
CID 137404425
1-[2,6-di(propan-2-yl)phenyl]-3-(5-phenylpyrimidin-2-yl)sulfonylurea
CID 137403389
1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10711308
1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 137404390
1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 155076568
CID 175753187
CID 175753187
1-(5-acetylpyrimidin-2-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 158391071
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-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea (CID 137404422) is 1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1ncc(N(C)C)cn1.
What is the InChIKey of 1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is NWRQOTLOTLDSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-12(2)15-8-7-9-16(13(3)4)17(15)22-18(25)23-28(26,27)19-20-10-14(11-21-19)24(5)6/h7-13H,1-6H3,(H2,22,23,25).
What are the key properties of 1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea?
1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 405.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 137404422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).