4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol

C16H13ClN4O — CID 162237124

IUPAC4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol
SMILESCc1nc(Nc2cc(Cl)ccc2O)nc(-c2ccccc2)n1
InChIInChI=1S/C16H13ClN4O/c1-10-18-15(11-5-3-2-4-6-11)21-16(19-10)20-13-9-12(17)7-8-14(13)22/h2-9,22H,1H3,(H,18,19,20,21)
InChIKeyZMTQQPPKYFTTCV-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.95
Rot. Bonds3

About 4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol

4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol (PubChem CID 162237124) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol.

Molecular Properties

Compound Name4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol
PubChem CID162237124
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol
SMILESCc1nc(Nc2cc(Cl)ccc2O)nc(-c2ccccc2)n1
InChIInChI=1S/C16H13ClN4O/c1-10-18-15(11-5-3-2-4-6-11)21-16(19-10)20-13-9-12(17)7-8-14(13)22/h2-9,22H,1H3,(H,18,19,20,21)
InChIKeyZMTQQPPKYFTTCV-UHFFFAOYSA-N
XLogP3.95
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol
CID 110431245
4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride
CID 18593652
2-[3,5-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842963
2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842997
2-(6-chloronaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 129263325
N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209
2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425266
2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
CID 136603035
2-[3-[4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250533
4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol
CID 135548693
3-[[4-(5-chloro-2-hydroxyanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 57035254
2-(4-chlorophenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425295

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol?
The IUPAC name of 4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol (CID 162237124) is 4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol.
What is the SMILES notation for 4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol?
The canonical SMILES for 4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol is Cc1nc(Nc2cc(Cl)ccc2O)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol?
The InChIKey is ZMTQQPPKYFTTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-10-18-15(11-5-3-2-4-6-11)21-16(19-10)20-13-9-12(17)7-8-14(13)22/h2-9,22H,1H3,(H,18,19,20,21).
What are the key properties of 4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol?
4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol has a molecular weight of 312.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-methyl-6-phenyl-1,3,5-triazin-2-yl)amino]phenol is sourced from PubChem (CID 162237124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).