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

C24H22ClN5O2 — CID 155556045

IUPAC[2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
SMILESNc1nc(NCCc2ccc(Oc3ccccc3)cc2)nc(-c2cc(Cl)ccc2CO)n1
InChIInChI=1S/C24H22ClN5O2/c25-18-9-8-17(15-31)21(14-18)22-28-23(26)30-24(29-22)27-13-12-16-6-10-20(11-7-16)32-19-4-2-1-3-5-19/h1-11,14,31H,12-13,15H2,(H3,26,27,28,29,30)
InChIKeyZRMZSTOHCICDQU-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.71
Rot. Bonds8

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

[2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol (PubChem CID 155556045) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
PubChem CID155556045
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name[2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
SMILESNc1nc(NCCc2ccc(Oc3ccccc3)cc2)nc(-c2cc(Cl)ccc2CO)n1
InChIInChI=1S/C24H22ClN5O2/c25-18-9-8-17(15-31)21(14-18)22-28-23(26)30-24(29-22)27-13-12-16-6-10-20(11-7-16)32-19-4-2-1-3-5-19/h1-11,14,31H,12-13,15H2,(H3,26,27,28,29,30)
InChIKeyZRMZSTOHCICDQU-UHFFFAOYSA-N
XLogP4.71
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The IUPAC name of [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol (CID 155556045) is [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The canonical SMILES for [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol is Nc1nc(NCCc2ccc(Oc3ccccc3)cc2)nc(-c2cc(Cl)ccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The InChIKey is ZRMZSTOHCICDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c25-18-9-8-17(15-31)21(14-18)22-28-23(26)30-24(29-22)27-13-12-16-6-10-20(11-7-16)32-19-4-2-1-3-5-19/h1-11,14,31H,12-13,15H2,(H3,26,27,28,29,30).
What are the key properties of [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
[2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol has a molecular weight of 447.93 g/mol, XLogP of 4.71, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol is sourced from PubChem (CID 155556045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).