[2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol

C20H22ClN5O — CID 155522666

IUPAC[2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
SMILESNc1nc(NCCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1
InChIInChI=1S/C20H22ClN5O/c21-16-10-9-15(13-27)17(12-16)18-24-19(22)26-20(25-18)23-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,27H,4-5,8,11,13H2,(H3,22,23,24,25,26)
InChIKeyBEDJMKDZWNWVHN-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.70
Rot. Bonds8

About [2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol

[2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol (PubChem CID 155522666) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is [2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
PubChem CID155522666
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name[2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
SMILESNc1nc(NCCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1
InChIInChI=1S/C20H22ClN5O/c21-16-10-9-15(13-27)17(12-16)18-24-19(22)26-20(25-18)23-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,27H,4-5,8,11,13H2,(H3,22,23,24,25,26)
InChIKeyBEDJMKDZWNWVHN-UHFFFAOYSA-N
XLogP3.70
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol 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

Ogerin
CID 56707820
2-[2-Chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71580293
2-[2-Chloro-5-[4-(fluoromethoxy)-6-[2-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599710
2-[2-Chloro-5-[4-[dideuterio(fluoro)methoxy]-6-[2-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 72946872
[2-[4-Amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155511832
[2-[4-Amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
CID 155531067
[2-[4-Amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
CID 155558626
2-{4-Amino-6-[(2-phenylethyl)amino]-1,3,5-triazin-2-yl}-4-chlorophenol
CID 826991
[2-[4-Amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155512389
[2-[4-Amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
CID 155515769
[2-[4-Amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol
CID 155515820
[2-[4-Amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155517559

Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The IUPAC name of [2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol (CID 155522666) is [2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The canonical SMILES for [2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol is Nc1nc(NCCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The InChIKey is BEDJMKDZWNWVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c21-16-10-9-15(13-27)17(12-16)18-24-19(22)26-20(25-18)23-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,27H,4-5,8,11,13H2,(H3,22,23,24,25,26).
What are the key properties of [2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
[2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol has a molecular weight of 383.88 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-6-(4-phenylbutylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol is sourced from PubChem (CID 155522666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).