1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea

C23H24ClN7O2 — CID 46891310

IUPAC1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea
SMILESCN(CCCO)c1nc(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)nc2c1ncn2C
InChIInChI=1S/C23H24ClN7O2/c1-30(10-5-11-32)21-19-22(31(2)14-25-19)29-20(28-21)15-6-3-8-17(12-15)26-23(33)27-18-9-4-7-16(24)13-18/h3-4,6-9,12-14,32H,5,10-11H2,1-2H3,(H2,26,27,33)
InChIKeyUBPUPMDADODRPJ-UHFFFAOYSA-N
MW465.95 g/mol
LogP4.15
Rot. Bonds7

About 1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea

1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea (PubChem CID 46891310) has the molecular formula C23H24ClN7O2 and a molecular weight of 465.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea
PubChem CID46891310
Molecular FormulaC23H24ClN7O2
Molecular Weight465.95 g/mol
Exact Mass465.17
IUPAC Name1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea
SMILESCN(CCCO)c1nc(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)nc2c1ncn2C
InChIInChI=1S/C23H24ClN7O2/c1-30(10-5-11-32)21-19-22(31(2)14-25-19)29-20(28-21)15-6-3-8-17(12-15)26-23(33)27-18-9-4-7-16(24)13-18/h3-4,6-9,12-14,32H,5,10-11H2,1-2H3,(H2,26,27,33)
InChIKeyUBPUPMDADODRPJ-UHFFFAOYSA-N
XLogP4.15
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.95
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[6-(3-aminopropylamino)-9-methylpurin-2-yl]phenyl]-3-(3-chlorophenyl)urea
CID 46891308
1-(3-aminophenyl)-3-[3-[6-(3-hydroxypropylamino)-9-methylpurin-2-yl]phenyl]urea
CID 46891169
1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 7080345
1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 110473507
1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108812972
1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47363703
1-[4-[3-amino-1-[2-(dimethylamino)ethyl]indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea
CID 66680336
1-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-3-(3-chlorophenyl)urea
CID 46238208
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112461
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583672

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea (CID 46891310) is 1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea is CN(CCCO)c1nc(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)nc2c1ncn2C.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea?
The InChIKey is UBPUPMDADODRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O2/c1-30(10-5-11-32)21-19-22(31(2)14-25-19)29-20(28-21)15-6-3-8-17(12-15)26-23(33)27-18-9-4-7-16(24)13-18/h3-4,6-9,12-14,32H,5,10-11H2,1-2H3,(H2,26,27,33).
What are the key properties of 1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea?
1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea has a molecular weight of 465.95 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-[6-[3-hydroxypropyl(methyl)amino]-9-methylpurin-2-yl]phenyl]urea is sourced from PubChem (CID 46891310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).