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

C18H16F3N5O — CID 155524437

IUPAC[2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCc2ccc(C(F)(F)F)cc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)13-7-5-11(6-8-13)9-23-17-25-15(24-16(22)26-17)14-4-2-1-3-12(14)10-27/h1-8,27H,9-10H2,(H3,22,23,24,25,26)
InChIKeyGJLPKHWXHGSSOO-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.24
Rot. Bonds5

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

[2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol (PubChem CID 155524437) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is [2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
PubChem CID155524437
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name[2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCc2ccc(C(F)(F)F)cc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)13-7-5-11(6-8-13)9-23-17-25-15(24-16(22)26-17)14-4-2-1-3-12(14)10-27/h1-8,27H,9-10H2,(H3,22,23,24,25,26)
InChIKeyGJLPKHWXHGSSOO-UHFFFAOYSA-N
XLogP3.24
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]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
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
CID 155558626
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-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol
CID 155515820
[2-[4-Amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155517559

Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The IUPAC name of [2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol (CID 155524437) is [2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The canonical SMILES for [2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol is Nc1nc(NCc2ccc(C(F)(F)F)cc2)nc(-c2ccccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The InChIKey is GJLPKHWXHGSSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c19-18(20,21)13-7-5-11(6-8-13)9-23-17-25-15(24-16(22)26-17)14-4-2-1-3-12(14)10-27/h1-8,27H,9-10H2,(H3,22,23,24,25,26).
What are the key properties of [2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
[2-[4-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol has a molecular weight of 375.35 g/mol, XLogP of 3.24, 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-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol is sourced from PubChem (CID 155524437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).