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

C17H15F2N5O — CID 155515820

IUPAC[2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol
SMILESNc1nc(NCc2ccccc2F)nc(-c2c(F)cccc2CO)n1
InChIInChI=1S/C17H15F2N5O/c18-12-6-2-1-4-10(12)8-21-17-23-15(22-16(20)24-17)14-11(9-25)5-3-7-13(14)19/h1-7,25H,8-9H2,(H3,20,21,22,23,24)
InChIKeyBFGZGXJPTCYAIY-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.50
Rot. Bonds5

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

[2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol (PubChem CID 155515820) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol
PubChem CID155515820
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name[2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol
SMILESNc1nc(NCc2ccccc2F)nc(-c2c(F)cccc2CO)n1
InChIInChI=1S/C17H15F2N5O/c18-12-6-2-1-4-10(12)8-21-17-23-15(22-16(20)24-17)14-11(9-25)5-3-7-13(14)19/h1-7,25H,8-9H2,(H3,20,21,22,23,24)
InChIKeyBFGZGXJPTCYAIY-UHFFFAOYSA-N
XLogP2.50
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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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
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[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
[2-[4-Amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155512389
[2-[4-Amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
CID 155515769
[2-[4-Amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155517559
[2-[4-Amino-6-(benzylamino)-1,3,5-triazin-2-yl]-3-chlorophenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol?
The IUPAC name of [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol (CID 155515820) is [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol?
The canonical SMILES for [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol is Nc1nc(NCc2ccccc2F)nc(-c2c(F)cccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol?
The InChIKey is BFGZGXJPTCYAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c18-12-6-2-1-4-10(12)8-21-17-23-15(22-16(20)24-17)14-11(9-25)5-3-7-13(14)19/h1-7,25H,8-9H2,(H3,20,21,22,23,24).
What are the key properties of [2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol?
[2-[4-amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol has a molecular weight of 343.34 g/mol, XLogP of 2.50, 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]-3-fluorophenyl]methanol is sourced from PubChem (CID 155515820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).