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

C11H19F2N5O2 — CID 107495210

IUPAC2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCOc1nc(NC)nc(N(CCO)CC(F)F)n1
InChIInChI=1S/C11H19F2N5O2/c1-3-6-20-11-16-9(14-2)15-10(17-11)18(4-5-19)7-8(12)13/h8,19H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyJLZMIYKVXYGVIN-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.77
Rot. Bonds9

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

2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 107495210) has the molecular formula C11H19F2N5O2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID107495210
Molecular FormulaC11H19F2N5O2
Molecular Weight291.30 g/mol
Exact Mass291.15
IUPAC Name2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCOc1nc(NC)nc(N(CCO)CC(F)F)n1
InChIInChI=1S/C11H19F2N5O2/c1-3-6-20-11-16-9(14-2)15-10(17-11)18(4-5-19)7-8(12)13/h8,19H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyJLZMIYKVXYGVIN-UHFFFAOYSA-N
XLogP0.77
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2,2-difluoroethyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
CID 107495412
1-methoxy-3-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80811033
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867459
N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80785605
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 80796977
2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80793836
2-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80845422
2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 112667737
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843434
6-ethoxy-2-N,2-N-bis(2-methoxyethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80795238
2-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80779284
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80895688

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol (CID 107495210) is 2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol is CCCOc1nc(NC)nc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is JLZMIYKVXYGVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N5O2/c1-3-6-20-11-16-9(14-2)15-10(17-11)18(4-5-19)7-8(12)13/h8,19H,3-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol?
2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 291.30 g/mol, XLogP of 0.77, 9 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-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 107495210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).