2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol

C17H25FN6O — CID 111913626

IUPAC2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol
SMILESCCCCCN(CCO)Cc1nc(N)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C17H25FN6O/c1-2-3-4-9-24(10-11-25)12-15-21-16(19)23-17(22-15)20-14-7-5-13(18)6-8-14/h5-8,25H,2-4,9-12H2,1H3,(H3,19,20,21,22,23)
InChIKeyXXVDPHLHSFSRKP-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.32
Rot. Bonds10

About 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol

2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol (PubChem CID 111913626) has the molecular formula C17H25FN6O and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol
PubChem CID111913626
Molecular FormulaC17H25FN6O
Molecular Weight348.43 g/mol
Exact Mass348.21
IUPAC Name2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol
SMILESCCCCCN(CCO)Cc1nc(N)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C17H25FN6O/c1-2-3-4-9-24(10-11-25)12-15-21-16(19)23-17(22-15)20-14-7-5-13(18)6-8-14/h5-8,25H,2-4,9-12H2,1H3,(H3,19,20,21,22,23)
InChIKeyXXVDPHLHSFSRKP-UHFFFAOYSA-N
XLogP2.32
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol with MolForge

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Related Compounds

6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 142393995
2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
CID 60689088
6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 78820252
6-[[benzyl(furan-2-ylmethyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 78819335
2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 26300352
2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide
CID 55506651
6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 78818933
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-oxo-3-pentylphthalazine-1-carboxylate
CID 46641704
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]propan-1-ol
CID 115674914
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 5-methylfuran-2-carboxylate
CID 17420405
6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 78818929

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol?
The IUPAC name of 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol (CID 111913626) is 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol?
The canonical SMILES for 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol is CCCCCN(CCO)Cc1nc(N)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol?
The InChIKey is XXVDPHLHSFSRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN6O/c1-2-3-4-9-24(10-11-25)12-15-21-16(19)23-17(22-15)20-14-7-5-13(18)6-8-14/h5-8,25H,2-4,9-12H2,1H3,(H3,19,20,21,22,23).
What are the key properties of 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol?
2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol has a molecular weight of 348.43 g/mol, XLogP of 2.32, 10 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-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol is sourced from PubChem (CID 111913626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).