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

C23H20ClN5O2 — CID 155556347

IUPAC[2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
SMILESNc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(-c2cc(Cl)ccc2CO)n1
InChIInChI=1S/C23H20ClN5O2/c24-17-9-8-16(14-30)20(12-17)21-27-22(25)29-23(28-21)26-13-15-6-10-19(11-7-15)31-18-4-2-1-3-5-18/h1-12,30H,13-14H2,(H3,25,26,27,28,29)
InChIKeyBNAFRDCCLQHZAN-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.67
Rot. Bonds7

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

[2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol (PubChem CID 155556347) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
PubChem CID155556347
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name[2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
SMILESNc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(-c2cc(Cl)ccc2CO)n1
InChIInChI=1S/C23H20ClN5O2/c24-17-9-8-16(14-30)20(12-17)21-27-22(25)29-23(28-21)26-13-15-6-10-19(11-7-15)31-18-4-2-1-3-5-18/h1-12,30H,13-14H2,(H3,25,26,27,28,29)
InChIKeyBNAFRDCCLQHZAN-UHFFFAOYSA-N
XLogP4.67
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol with MolForge

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Related Compounds

(2-(4-Amino-6-((4-phenoxybenzyl)amino)-1,3,5-triazin-2-yl)-3-fluorophenyl)methanol
CID 139030523
6-[4-[(4-Chlorophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
CID 21705470
2-[2-Chloro-5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599355
2-[2-Chloro-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599356
2-[2-Chloro-5-[4-[2-[4-(fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599711
6-[4-[(3-Chlorophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
CID 129906767
[2-[4-Amino-6-[2-(4-phenoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155514234
[2-[4-Amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol
CID 155515359
[2-[4-Amino-6-[(4-cyclopropyloxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155518544
[2-[4-Amino-6-[3-(4-phenoxyphenyl)propylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol
CID 155520071
[2-[4-Amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol
CID 155524863
[2-[4-Amino-6-[(4-ethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155536180

Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The IUPAC name of [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol (CID 155556347) is [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The canonical SMILES for [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol is Nc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(-c2cc(Cl)ccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The InChIKey is BNAFRDCCLQHZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c24-17-9-8-16(14-30)20(12-17)21-27-22(25)29-23(28-21)26-13-15-6-10-19(11-7-15)31-18-4-2-1-3-5-18/h1-12,30H,13-14H2,(H3,25,26,27,28,29).
What are the key properties of [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
[2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol has a molecular weight of 433.90 g/mol, XLogP of 4.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol is sourced from PubChem (CID 155556347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).