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'}

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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).