2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol

C19H20ClN5O2 — CID 122182575

IUPAC2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol
SMILESCOc1ccc(CNc2nc(Cl)nc(Nc3ccccc3CCO)n2)cc1
InChIInChI=1S/C19H20ClN5O2/c1-27-15-8-6-13(7-9-15)12-21-18-23-17(20)24-19(25-18)22-16-5-3-2-4-14(16)10-11-26/h2-9,26H,10-12H2,1H3,(H2,21,22,23,24,25)
InChIKeyDFRWKEIUZGKVHB-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.42
Rot. Bonds8

About 2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol

2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol (PubChem CID 122182575) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol
PubChem CID122182575
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol
SMILESCOc1ccc(CNc2nc(Cl)nc(Nc3ccccc3CCO)n2)cc1
InChIInChI=1S/C19H20ClN5O2/c1-27-15-8-6-13(7-9-15)12-21-18-23-17(20)24-19(25-18)22-16-5-3-2-4-14(16)10-11-26/h2-9,26H,10-12H2,1H3,(H2,21,22,23,24,25)
InChIKeyDFRWKEIUZGKVHB-UHFFFAOYSA-N
XLogP3.42
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol (CID 122182575) is 2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol is COc1ccc(CNc2nc(Cl)nc(Nc3ccccc3CCO)n2)cc1.
What is the InChIKey of 2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol?
The InChIKey is DFRWKEIUZGKVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-27-15-8-6-13(7-9-15)12-21-18-23-17(20)24-19(25-18)22-16-5-3-2-4-14(16)10-11-26/h2-9,26H,10-12H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol?
2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol has a molecular weight of 385.86 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-chloro-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethanol is sourced from PubChem (CID 122182575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).