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

C18H20FN7O — CID 11566868

IUPAC2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1cccc(Nc2nc(NCCO)nc(NCc3ccccc3F)n2)c1
InChIInChI=1S/C18H20FN7O/c19-15-7-2-1-4-12(15)11-22-17-24-16(21-8-9-27)25-18(26-17)23-14-6-3-5-13(20)10-14/h1-7,10,27H,8-9,11,20H2,(H3,21,22,23,24,25,26)
InChIKeyGKDOWIZAPFVGLU-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.35
Rot. Bonds8

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

2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 11566868) has the molecular formula C18H20FN7O and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID11566868
Molecular FormulaC18H20FN7O
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Name2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1cccc(Nc2nc(NCCO)nc(NCc3ccccc3F)n2)c1
InChIInChI=1S/C18H20FN7O/c19-15-7-2-1-4-12(15)11-22-17-24-16(21-8-9-27)25-18(26-17)23-14-6-3-5-13(20)10-14/h1-7,10,27H,8-9,11,20H2,(H3,21,22,23,24,25,26)
InChIKeyGKDOWIZAPFVGLU-UHFFFAOYSA-N
XLogP2.35
TPSA121.01 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3-aminoanilino)-6-[2-[4-[[4,6-bis(3-aminoanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 45486433
2-N-(3-aminophenyl)-4-N,6-N-dibenzyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 91094549
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 23901092
2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 45486434
2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 11546096
2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 11683342
2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol
CID 45486428
6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 11567086
2-N-(3,5-dimethylphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917253
3-[[2-[(2-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194431
5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 60876320
4-N-(3,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917453

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol (CID 11566868) is 2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol is Nc1cccc(Nc2nc(NCCO)nc(NCc3ccccc3F)n2)c1.
What is the InChIKey of 2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is GKDOWIZAPFVGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O/c19-15-7-2-1-4-12(15)11-22-17-24-16(21-8-9-27)25-18(26-17)23-14-6-3-5-13(20)10-14/h1-7,10,27H,8-9,11,20H2,(H3,21,22,23,24,25,26).
What are the key properties of 2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 369.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 11566868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).