2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol

C10H15F2N3O3 — CID 107484057

IUPAC2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol
SMILESCOc1cc(OC)nc(N(CCO)CC(F)F)n1
InChIInChI=1S/C10H15F2N3O3/c1-17-8-5-9(18-2)14-10(13-8)15(3-4-16)6-7(11)12/h5,7,16H,3-4,6H2,1-2H3
InChIKeyJEXRNLKUYPBSID-UHFFFAOYSA-N
MW263.24 g/mol
LogP0.56
Rot. Bonds7

About 2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol

2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol (PubChem CID 107484057) has the molecular formula C10H15F2N3O3 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol
PubChem CID107484057
Molecular FormulaC10H15F2N3O3
Molecular Weight263.24 g/mol
Exact Mass263.11
IUPAC Name2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol
SMILESCOc1cc(OC)nc(N(CCO)CC(F)F)n1
InChIInChI=1S/C10H15F2N3O3/c1-17-8-5-9(18-2)14-10(13-8)15(3-4-16)6-7(11)12/h5,7,16H,3-4,6H2,1-2H3
InChIKeyJEXRNLKUYPBSID-UHFFFAOYSA-N
XLogP0.56
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol (CID 107484057) is 2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol is COc1cc(OC)nc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol?
The InChIKey is JEXRNLKUYPBSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O3/c1-17-8-5-9(18-2)14-10(13-8)15(3-4-16)6-7(11)12/h5,7,16H,3-4,6H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol?
2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol has a molecular weight of 263.24 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-(4,6-dimethoxypyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 107484057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).