2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol

C13H24F2N6O4 — CID 90392192

IUPAC2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol
SMILESCN(CCO)c1nc(N(C)CCO)nc(N(CCO)CC(O)(F)F)n1
InChIInChI=1S/C13H24F2N6O4/c1-19(3-6-22)10-16-11(20(2)4-7-23)18-12(17-10)21(5-8-24)9-13(14,15)25/h22-25H,3-9H2,1-2H3
InChIKeyUNOLKMOQVDSNEZ-UHFFFAOYSA-N
MW366.37 g/mol
LogP-1.89
Rot. Bonds11

About 2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol

2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol (PubChem CID 90392192) has the molecular formula C13H24F2N6O4 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol.

Molecular Properties

Compound Name2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol
PubChem CID90392192
Molecular FormulaC13H24F2N6O4
Molecular Weight366.37 g/mol
Exact Mass366.18
IUPAC Name2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol
SMILESCN(CCO)c1nc(N(C)CCO)nc(N(CCO)CC(O)(F)F)n1
InChIInChI=1S/C13H24F2N6O4/c1-19(3-6-22)10-16-11(20(2)4-7-23)18-12(17-10)21(5-8-24)9-13(14,15)25/h22-25H,3-9H2,1-2H3
InChIKeyUNOLKMOQVDSNEZ-UHFFFAOYSA-N
XLogP-1.89
TPSA129.31 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol?
The IUPAC name of 2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol (CID 90392192) is 2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol.
What is the SMILES notation for 2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol?
The canonical SMILES for 2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol is CN(CCO)c1nc(N(C)CCO)nc(N(CCO)CC(O)(F)F)n1.
What is the InChIKey of 2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol?
The InChIKey is UNOLKMOQVDSNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N6O4/c1-19(3-6-22)10-16-11(20(2)4-7-23)18-12(17-10)21(5-8-24)9-13(14,15)25/h22-25H,3-9H2,1-2H3.
What are the key properties of 2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol?
2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol has a molecular weight of 366.37 g/mol, XLogP of -1.89, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]-1,1-difluoroethanol is sourced from PubChem (CID 90392192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).