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

C11H20F2N6O — CID 107495179

IUPAC2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCNc1nc(N(C)C)nc(N(CCO)CC(F)F)n1
InChIInChI=1S/C11H20F2N6O/c1-4-14-9-15-10(18(2)3)17-11(16-9)19(5-6-20)7-8(12)13/h8,20H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyROWUUQNRESCDRM-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.43
Rot. Bonds8

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

2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 107495179) has the molecular formula C11H20F2N6O and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID107495179
Molecular FormulaC11H20F2N6O
Molecular Weight290.32 g/mol
Exact Mass290.17
IUPAC Name2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCNc1nc(N(C)C)nc(N(CCO)CC(F)F)n1
InChIInChI=1S/C11H20F2N6O/c1-4-14-9-15-10(18(2)3)17-11(16-9)19(5-6-20)7-8(12)13/h8,20H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyROWUUQNRESCDRM-UHFFFAOYSA-N
XLogP0.43
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,2',2''-(1,3,5-Triazine-2,4,6-triyltriimino)trisethanol
CID 78114
[[4,6-Bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 9978430
2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-YL]amino}ethanol
CID 3138159
Ethanol, 2-((4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl)amino)-
CID 3041948
[[4-(Methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10019773
1-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 19897300
2-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 21741836
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 53804345
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 54479155
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
[[4,6-Bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10333116

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 107495179) is 2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol is CCNc1nc(N(C)C)nc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is ROWUUQNRESCDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N6O/c1-4-14-9-15-10(18(2)3)17-11(16-9)19(5-6-20)7-8(12)13/h8,20H,4-7H2,1-3H3,(H,14,15,16,17).
What are the key properties of 2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 290.32 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 107495179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).