1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea

C25H30N6O2 — CID 50753143

IUPAC1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)c1
InChIInChI=1S/C25H30N6O2/c1-17-26-23(28-18-7-4-3-5-8-18)16-24(27-17)29-19-11-13-20(14-12-19)30-25(32)31-21-9-6-10-22(15-21)33-2/h6,9-16,18H,3-5,7-8H2,1-2H3,(H2,30,31,32)(H2,26,27,28,29)
InChIKeyNRVKALRLSKVWPA-UHFFFAOYSA-N
MW446.56 g/mol
LogP5.93
Rot. Bonds7

About 1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea

1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 50753143) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
PubChem CID50753143
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)c1
InChIInChI=1S/C25H30N6O2/c1-17-26-23(28-18-7-4-3-5-8-18)16-24(27-17)29-19-11-13-20(14-12-19)30-25(32)31-21-9-6-10-22(15-21)33-2/h6,9-16,18H,3-5,7-8H2,1-2H3,(H2,30,31,32)(H2,26,27,28,29)
InChIKeyNRVKALRLSKVWPA-UHFFFAOYSA-N
XLogP5.93
TPSA100.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 55.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)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-(3-methoxyphenyl)-3-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748172
1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
CID 50748093
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
methyl 4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112876057
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748054
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
1-[4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876052
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112869053
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193209
N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea (CID 50753143) is 1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)n3)cc2)c1.
What is the InChIKey of 1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is NRVKALRLSKVWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17-26-23(28-18-7-4-3-5-8-18)16-24(27-17)29-19-11-13-20(14-12-19)30-25(32)31-21-9-6-10-22(15-21)33-2/h6,9-16,18H,3-5,7-8H2,1-2H3,(H2,30,31,32)(H2,26,27,28,29).
What are the key properties of 1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea?
1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 446.56 g/mol, XLogP of 5.93, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 50753143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).