1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea

C23H26N6O3 — CID 50748054

IUPAC1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)c1
InChIInChI=1S/C23H26N6O3/c1-16-24-21(15-22(25-16)29-10-12-32-13-11-29)26-17-6-8-18(9-7-17)27-23(30)28-19-4-3-5-20(14-19)31-2/h3-9,14-15H,10-13H2,1-2H3,(H,24,25,26)(H2,27,28,30)
InChIKeyGGFWARNAMDIOSL-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.02
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea

1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea (PubChem CID 50748054) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
PubChem CID50748054
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)c1
InChIInChI=1S/C23H26N6O3/c1-16-24-21(15-22(25-16)29-10-12-32-13-11-29)26-17-6-8-18(9-7-17)27-23(30)28-19-4-3-5-20(14-19)31-2/h3-9,14-15H,10-13H2,1-2H3,(H,24,25,26)(H2,27,28,30)
InChIKeyGGFWARNAMDIOSL-UHFFFAOYSA-N
XLogP4.02
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea with MolForge

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Related Compounds

1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748172
1-(2,4-dimethoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50753225
1-(2-fluorophenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748155
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 122297260
1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
CID 50748093
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxypropanamide
CID 122297268
methyl 3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112869947
1-(2,5-dimethoxyphenyl)-3-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748140
1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966881
1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
CID 50753143
1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 70674637
2,4,5-trifluoro-3-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122297414

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea (CID 50748054) is 1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea is COc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea?
The InChIKey is GGFWARNAMDIOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-16-24-21(15-22(25-16)29-10-12-32-13-11-29)26-17-6-8-18(9-7-17)27-23(30)28-19-4-3-5-20(14-19)31-2/h3-9,14-15H,10-13H2,1-2H3,(H,24,25,26)(H2,27,28,30).
What are the key properties of 1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea?
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea has a molecular weight of 434.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea is sourced from PubChem (CID 50748054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).