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

C17H16FN5O — CID 155512389

IUPAC[2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCc2ccccc2F)nc(-c2ccccc2CO)n1
InChIInChI=1S/C17H16FN5O/c18-14-8-4-2-5-11(14)9-20-17-22-15(21-16(19)23-17)13-7-3-1-6-12(13)10-24/h1-8,24H,9-10H2,(H3,19,20,21,22,23)
InChIKeyDGESORREBOTVMW-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.36
Rot. Bonds5

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

[2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol (PubChem CID 155512389) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
PubChem CID155512389
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name[2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCc2ccccc2F)nc(-c2ccccc2CO)n1
InChIInChI=1S/C17H16FN5O/c18-14-8-4-2-5-11(14)9-20-17-22-15(21-16(19)23-17)13-7-3-1-6-12(13)10-24/h1-8,24H,9-10H2,(H3,19,20,21,22,23)
InChIKeyDGESORREBOTVMW-UHFFFAOYSA-N
XLogP2.36
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Ogerin
CID 56707820
Ogerin negative control
CID 39791182
[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
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2-[3-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599448
3-[3-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]pentan-3-ol
CID 71599623
2-[2-Fluoro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 118986952
4-[2-[[4-(5-Aminopentylamino)-6-(4-fluorophenyl)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 46232025
4-[2-[[4-(5-Aminopentylamino)-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 46232026
[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

Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The IUPAC name of [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol (CID 155512389) is [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The canonical SMILES for [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol is Nc1nc(NCc2ccccc2F)nc(-c2ccccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The InChIKey is DGESORREBOTVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-14-8-4-2-5-11(14)9-20-17-22-15(21-16(19)23-17)13-7-3-1-6-12(13)10-24/h1-8,24H,9-10H2,(H3,19,20,21,22,23).
What are the key properties of [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
[2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol has a molecular weight of 325.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol is sourced from PubChem (CID 155512389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).