2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol

C9H12ClF2N3O — CID 107482078

IUPAC2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCc1c(Cl)ncnc1N(CCO)CC(F)F
InChIInChI=1S/C9H12ClF2N3O/c1-6-8(10)13-5-14-9(6)15(2-3-16)4-7(11)12/h5,7,16H,2-4H2,1H3
InChIKeyBKLLVIIXBHUSPG-UHFFFAOYSA-N
MW251.66 g/mol
LogP1.50
Rot. Bonds5

About 2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol

2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107482078) has the molecular formula C9H12ClF2N3O and a molecular weight of 251.66 g/mol. Its IUPAC name is 2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107482078
Molecular FormulaC9H12ClF2N3O
Molecular Weight251.66 g/mol
Exact Mass251.06
IUPAC Name2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCc1c(Cl)ncnc1N(CCO)CC(F)F
InChIInChI=1S/C9H12ClF2N3O/c1-6-8(10)13-5-14-9(6)15(2-3-16)4-7(11)12/h5,7,16H,2-4H2,1H3
InChIKeyBKLLVIIXBHUSPG-UHFFFAOYSA-N
XLogP1.50
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107482078) is 2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol is Cc1c(Cl)ncnc1N(CCO)CC(F)F.
What is the InChIKey of 2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is BKLLVIIXBHUSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2N3O/c1-6-8(10)13-5-14-9(6)15(2-3-16)4-7(11)12/h5,7,16H,2-4H2,1H3.
What are the key properties of 2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 251.66 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107482078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).