1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea

C23H24FN5O4S — CID 24804985

IUPAC1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C23H24FN5O4S/c1-34(31,32)15-20-14-21(29-10-12-33-13-11-29)28-22(25-20)16-2-6-18(7-3-16)26-23(30)27-19-8-4-17(24)5-9-19/h2-9,14H,10-13,15H2,1H3,(H2,26,27,30)
InChIKeyCTTXJIASTBIXRL-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.31
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea

1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea (PubChem CID 24804985) has the molecular formula C23H24FN5O4S and a molecular weight of 485.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
PubChem CID24804985
Molecular FormulaC23H24FN5O4S
Molecular Weight485.54 g/mol
Exact Mass485.15
IUPAC Name1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C23H24FN5O4S/c1-34(31,32)15-20-14-21(29-10-12-33-13-11-29)28-22(25-20)16-2-6-18(7-3-16)26-23(30)27-19-8-4-17(24)5-9-19/h2-9,14H,10-13,15H2,1H3,(H2,26,27,30)
InChIKeyCTTXJIASTBIXRL-UHFFFAOYSA-N
XLogP3.31
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea (CID 24804985) is 1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea is CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea?
The InChIKey is CTTXJIASTBIXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4S/c1-34(31,32)15-20-14-21(29-10-12-33-13-11-29)28-22(25-20)16-2-6-18(7-3-16)26-23(30)27-19-8-4-17(24)5-9-19/h2-9,14H,10-13,15H2,1H3,(H2,26,27,30).
What are the key properties of 1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea?
1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea has a molecular weight of 485.54 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea is sourced from PubChem (CID 24804985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).