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

C23H20FN5O2 — CID 139030523

IUPAC[2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol
SMILESNc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(-c2c(F)cccc2CO)n1
InChIInChI=1S/C23H20FN5O2/c24-19-8-4-5-16(14-30)20(19)21-27-22(25)29-23(28-21)26-13-15-9-11-18(12-10-15)31-17-6-2-1-3-7-17/h1-12,30H,13-14H2,(H3,25,26,27,28,29)
InChIKeyKKHDNAZPEMYUNO-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.16
Rot. Bonds7

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

[2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol (PubChem CID 139030523) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol
PubChem CID139030523
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name[2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol
SMILESNc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(-c2c(F)cccc2CO)n1
InChIInChI=1S/C23H20FN5O2/c24-19-8-4-5-16(14-30)20(19)21-27-22(25)29-23(28-21)26-13-15-9-11-18(12-10-15)31-17-6-2-1-3-7-17/h1-12,30H,13-14H2,(H3,25,26,27,28,29)
InChIKeyKKHDNAZPEMYUNO-UHFFFAOYSA-N
XLogP4.16
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599531
2-[2-Methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599447
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
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 118986949
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
2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 136146573
[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

Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol?
The IUPAC name of [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol (CID 139030523) is [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol?
The canonical SMILES for [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol is Nc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(-c2c(F)cccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol?
The InChIKey is KKHDNAZPEMYUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-19-8-4-5-16(14-30)20(19)21-27-22(25)29-23(28-21)26-13-15-9-11-18(12-10-15)31-17-6-2-1-3-7-17/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]-3-fluorophenyl]methanol?
[2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol has a molecular weight of 417.44 g/mol, XLogP of 4.16, 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]-3-fluorophenyl]methanol is sourced from PubChem (CID 139030523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).