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

C8H14F2N6O — CID 107485609

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNc1nc(N)nc(CN(CCO)CC(F)F)n1
InChIInChI=1S/C8H14F2N6O/c9-5(10)3-16(1-2-17)4-6-13-7(11)15-8(12)14-6/h5,17H,1-4H2,(H4,11,12,13,14,15)
InChIKeyRBQAJSQCJLMXID-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.90
Rot. Bonds6

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

2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107485609) has the molecular formula C8H14F2N6O and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107485609
Molecular FormulaC8H14F2N6O
Molecular Weight248.24 g/mol
Exact Mass248.12
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNc1nc(N)nc(CN(CCO)CC(F)F)n1
InChIInChI=1S/C8H14F2N6O/c9-5(10)3-16(1-2-17)4-6-13-7(11)15-8(12)14-6/h5,17H,1-4H2,(H4,11,12,13,14,15)
InChIKeyRBQAJSQCJLMXID-UHFFFAOYSA-N
XLogP-0.90
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864972
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485352
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-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107485609) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol is Nc1nc(N)nc(CN(CCO)CC(F)F)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is RBQAJSQCJLMXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N6O/c9-5(10)3-16(1-2-17)4-6-13-7(11)15-8(12)14-6/h5,17H,1-4H2,(H4,11,12,13,14,15).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 248.24 g/mol, XLogP of -0.90, 6 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-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107485609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).