1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea

C24H26ClN7O3 — CID 44514203

IUPAC1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C24H26ClN7O3/c25-18-3-7-20(8-4-18)27-24(33)26-19-5-1-17(2-6-19)21-28-22(31-9-13-34-14-10-31)30-23(29-21)32-11-15-35-16-12-32/h1-8H,9-16H2,(H2,26,27,33)
InChIKeyAICHVRUESJLOEC-UHFFFAOYSA-N
MW495.97 g/mol
LogP3.51
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea

1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea (PubChem CID 44514203) has the molecular formula C24H26ClN7O3 and a molecular weight of 495.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
PubChem CID44514203
Molecular FormulaC24H26ClN7O3
Molecular Weight495.97 g/mol
Exact Mass495.18
IUPAC Name1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C24H26ClN7O3/c25-18-3-7-20(8-4-18)27-24(33)26-19-5-1-17(2-6-19)21-28-22(31-9-13-34-14-10-31)30-23(29-21)32-11-15-35-16-12-32/h1-8H,9-16H2,(H2,26,27,33)
InChIKeyAICHVRUESJLOEC-UHFFFAOYSA-N
XLogP3.51
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.97
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)aniline
CID 45379087
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 70674636
(R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-(4-(4-methylpiperazin-1-yl)phenyl)urea
CID 46884592
(R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-(4-(piperazin-1-yl)phenyl)urea
CID 46884593
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-[methyl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 70675217
N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18580231
1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 44513886
1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 44513888
1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-fluorophenyl)urea
CID 44514201
(2,4-Difluorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
CID 44514205
1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phenyl]-3-[4-(1-hydroxyethyl)phenyl]urea
CID 44515083

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea (CID 44514203) is 1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea?
The InChIKey is AICHVRUESJLOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O3/c25-18-3-7-20(8-4-18)27-24(33)26-19-5-1-17(2-6-19)21-28-22(31-9-13-34-14-10-31)30-23(29-21)32-11-15-35-16-12-32/h1-8H,9-16H2,(H2,26,27,33).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea has a molecular weight of 495.97 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea is sourced from PubChem (CID 44514203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).