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

C24H23N5O2 — CID 155514234

IUPAC[2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCCc2ccc(Oc3ccccc3)cc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C24H23N5O2/c25-23-27-22(21-9-5-4-6-18(21)16-30)28-24(29-23)26-15-14-17-10-12-20(13-11-17)31-19-7-2-1-3-8-19/h1-13,30H,14-16H2,(H3,25,26,27,28,29)
InChIKeyVHIBHHUFSIUXLY-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.06
Rot. Bonds8

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

[2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol (PubChem CID 155514234) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol
PubChem CID155514234
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name[2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCCc2ccc(Oc3ccccc3)cc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C24H23N5O2/c25-23-27-22(21-9-5-4-6-18(21)16-30)28-24(29-23)26-15-14-17-10-12-20(13-11-17)31-19-7-2-1-3-8-19/h1-13,30H,14-16H2,(H3,25,26,27,28,29)
InChIKeyVHIBHHUFSIUXLY-UHFFFAOYSA-N
XLogP4.06
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2-(4-Amino-6-((4-phenoxybenzyl)amino)-1,3,5-triazin-2-yl)-3-fluorophenyl)methanol
CID 139030523
2-[5-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599531
(S)-2-amino-3-(4-(4-amino-6-(4-phenoxybenzylamino)-1,3,5-triazin-2-yl)phenyl)propanoic acid
CID 45486495
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine
CID 71599188
2-[5-[4-[2-[4-(Fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599709
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 118986944
2-[3-[4-[2-[4-(Difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 118986973
2-[5-[4-[2-[4-(Difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-fluorophenyl]propan-2-ol
CID 118986974
2-[2-[4-[2-[4-(Difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol
CID 118986975
6-[4-(3,4-Dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 2047338
2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 136146573
[2-[4-Amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol
CID 155515359

Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The IUPAC name of [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol (CID 155514234) is [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The canonical SMILES for [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol is Nc1nc(NCCc2ccc(Oc3ccccc3)cc2)nc(-c2ccccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The InChIKey is VHIBHHUFSIUXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c25-23-27-22(21-9-5-4-6-18(21)16-30)28-24(29-23)26-15-14-17-10-12-20(13-11-17)31-19-7-2-1-3-8-19/h1-13,30H,14-16H2,(H3,25,26,27,28,29).
What are the key properties of [2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
[2-[4-amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol has a molecular weight of 413.48 g/mol, XLogP of 4.06, 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]phenyl]methanol is sourced from PubChem (CID 155514234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).