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

C8H13F3N6O — CID 103864972

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1nc(N)nc(CN(CCO)CC(F)(F)F)n1
InChIInChI=1S/C8H13F3N6O/c9-8(10,11)4-17(1-2-18)3-5-14-6(12)16-7(13)15-5/h18H,1-4H2,(H4,12,13,14,15,16)
InChIKeyDYFVZNNLEUXQSG-UHFFFAOYSA-N
MW266.23 g/mol
LogP-0.61
Rot. Bonds5

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

2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103864972) has the molecular formula C8H13F3N6O and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103864972
Molecular FormulaC8H13F3N6O
Molecular Weight266.23 g/mol
Exact Mass266.11
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1nc(N)nc(CN(CCO)CC(F)(F)F)n1
InChIInChI=1S/C8H13F3N6O/c9-8(10,11)4-17(1-2-18)3-5-14-6(12)16-7(13)15-5/h18H,1-4H2,(H4,12,13,14,15,16)
InChIKeyDYFVZNNLEUXQSG-UHFFFAOYSA-N
XLogP-0.61
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

1-Piperazineethanol, 4-(4-amino-6-trifluoromethyl-2-s-triazinyl)-
CID 3041956
Ethanol, 2-((4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl)amino)-
CID 3041948
6-(difluoromethyl)-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 132395027
2-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 21741836
[4,6-Bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol
CID 23198945
1-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 88501029
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857860
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485352
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485609
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495340
3-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111913487
3-[4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol
CID 131962944

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103864972) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is Nc1nc(N)nc(CN(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is DYFVZNNLEUXQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N6O/c9-8(10,11)4-17(1-2-18)3-5-14-6(12)16-7(13)15-5/h18H,1-4H2,(H4,12,13,14,15,16).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 266.23 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103864972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).