1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea

C23H27N5O4S — CID 159236774

IUPAC1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea
SMILESCOc1cc(-c2cc(C)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2nc(C)cc(C)n2)ccn1
InChIInChI=1S/C23H27N5O4S/c1-13(2)18-9-14(3)10-19(17-7-8-24-20(12-17)32-6)21(18)27-22(29)28-33(30,31)23-25-15(4)11-16(5)26-23/h7-13H,1-6H3,(H2,27,28,29)
InChIKeySMCWHPHCQWHYRP-UHFFFAOYSA-N
MW469.57 g/mol
LogP4.11
Rot. Bonds6

About 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea

1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea (PubChem CID 159236774) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea
PubChem CID159236774
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea
SMILESCOc1cc(-c2cc(C)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2nc(C)cc(C)n2)ccn1
InChIInChI=1S/C23H27N5O4S/c1-13(2)18-9-14(3)10-19(17-7-8-24-20(12-17)32-6)21(18)27-22(29)28-33(30,31)23-25-15(4)11-16(5)26-23/h7-13H,1-6H3,(H2,27,28,29)
InChIKeySMCWHPHCQWHYRP-UHFFFAOYSA-N
XLogP4.11
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]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-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 137404390
1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-phenylethylsulfonyl)urea
CID 150340312
1-(5-acetylpyrimidin-2-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 158391071
4,6-dimethylpyrimidine-2-sulfonamide;1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]urea;[4-fluoro-2-(5-isocyano-3-pyridinyl)-6-propan-2-ylphenyl] cyanate
CID 158687348
1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea
CID 165005856
1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea
CID 137404425
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(6-methoxypyridazin-3-yl)sulfonylurea
CID 137404026
N-(4,5-dimethylthiophen-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155463985
2-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 137404414
3-[[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]carbamoylsulfamoyl]-N-(2-methoxyethyl)-1-methyl-N-propylpyrazole-5-carboxamide
CID 162159458
1-(6-chloronaphthalen-2-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 134258206
1-[6-(methylamino)pyrimidin-4-yl]sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 157413501

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea (CID 159236774) is 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea is COc1cc(-c2cc(C)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2nc(C)cc(C)n2)ccn1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea?
The InChIKey is SMCWHPHCQWHYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-13(2)18-9-14(3)10-19(17-7-8-24-20(12-17)32-6)21(18)27-22(29)28-33(30,31)23-25-15(4)11-16(5)26-23/h7-13H,1-6H3,(H2,27,28,29).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea?
1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea has a molecular weight of 469.57 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2-(2-methoxy-4-pyridinyl)-4-methyl-6-propan-2-ylphenyl]urea is sourced from PubChem (CID 159236774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).