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

C10H9ClN4O2 — CID 59860984

IUPAC4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol
SMILESCOc1nc(Cl)nc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C10H9ClN4O2/c1-17-10-14-8(11)13-9(15-10)12-6-2-4-7(16)5-3-6/h2-5,16H,1H3,(H,12,13,14,15)
InChIKeyFKENTYLJLANAOS-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.98
Rot. Bonds3

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

4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol (PubChem CID 59860984) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol
PubChem CID59860984
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol
SMILESCOc1nc(Cl)nc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C10H9ClN4O2/c1-17-10-14-8(11)13-9(15-10)12-6-2-4-7(16)5-3-6/h2-5,16H,1H3,(H,12,13,14,15)
InChIKeyFKENTYLJLANAOS-UHFFFAOYSA-N
XLogP1.98
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Pyrimethanil, 4'-hydroxy
CID 741703
6-chloro-N,N'-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
4-({4-Methoxy-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-yl}amino)phenol
CID 1259630
2-[4-Chloro-6-(4-methoxy-phenylamino)-[1,3,5]triazin-2-ylamino]-ethanol
CID 3146888
2-[4-Chloro-6-(4-ethoxy-phenylamino)-[1,3,5]triazin-2-ylamino]-ethanol
CID 3132067
N-Allyl-6-chloro-N'-(4-methoxy-phenyl)-[1,3,5]triazine-2,4-diamine
CID 3146887
N-Allyl-6-methoxy-N'-(4-methoxy-phenyl)-[1,3,5]triazine-2,4-diamine
CID 3146889
(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-(4-methoxy-phenyl)-amine
CID 1158978
4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine
CID 779509
N-{4-[chloro(difluoro)methoxy]phenyl}-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 4193987
1,3,5-Triazine-2,4,6-triamine, N,N',N''-tris(4-methoxyphenyl)-
CID 4913922
N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 757415

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol?
The IUPAC name of 4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol (CID 59860984) is 4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol.
What is the SMILES notation for 4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol?
The canonical SMILES for 4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol is COc1nc(Cl)nc(Nc2ccc(O)cc2)n1.
What is the InChIKey of 4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol?
The InChIKey is FKENTYLJLANAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-17-10-14-8(11)13-9(15-10)12-6-2-4-7(16)5-3-6/h2-5,16H,1H3,(H,12,13,14,15).
What are the key properties of 4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol?
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol has a molecular weight of 252.66 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol is sourced from PubChem (CID 59860984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).