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

C9H16F2N6O — CID 107495175

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESCN(C)c1nc(N)nc(N(CCO)CC(F)F)n1
InChIInChI=1S/C9H16F2N6O/c1-16(2)8-13-7(12)14-9(15-8)17(3-4-18)5-6(10)11/h6,18H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyASUGOCJWOLMSJF-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.42
Rot. Bonds6

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107495175) has the molecular formula C9H16F2N6O and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107495175
Molecular FormulaC9H16F2N6O
Molecular Weight262.26 g/mol
Exact Mass262.14
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESCN(C)c1nc(N)nc(N(CCO)CC(F)F)n1
InChIInChI=1S/C9H16F2N6O/c1-16(2)8-13-7(12)14-9(15-8)17(3-4-18)5-6(10)11/h6,18H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyASUGOCJWOLMSJF-UHFFFAOYSA-N
XLogP-0.42
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2,2',2'',2''',2'''',2'''''-(1,3,5-Triazine-2,4,6-triyltrinitrilo)hexakisethanol
CID 78115
Ethanol, 2-((4,6-bis(dimethylamino)-s-triazin-2-yl)methylamino)-
CID 104144
Ethanol, 2,2'-((4,6-bis(dimethylamino)-s-triazin-2-yl)imino)di-
CID 3048926
2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-YL]amino}ethanol
CID 3138159
2-[(4,6-Diamino-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 245518
[[4-(Methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10019773
1,3,5-Triazine, 2-amino-4,6-bisdi(2-hydroxy)ethylamino-
CID 66883641
[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 14925798
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 20537877
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 53804345
2-[[4,6-Bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol
CID 90392192
2-[[4,6-Bis[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 149285128

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol (CID 107495175) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol is CN(C)c1nc(N)nc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is ASUGOCJWOLMSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N6O/c1-16(2)8-13-7(12)14-9(15-8)17(3-4-18)5-6(10)11/h6,18H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 262.26 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107495175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).