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

C12H18ClF2N3O — CID 107482089

IUPAC2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCCCc1nc(Cl)c(C)c(N(CCO)CC(F)F)n1
InChIInChI=1S/C12H18ClF2N3O/c1-3-4-10-16-11(13)8(2)12(17-10)18(5-6-19)7-9(14)15/h9,19H,3-7H2,1-2H3
InChIKeyUUMMMKDLFPKJJB-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.45
Rot. Bonds7

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

2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107482089) has the molecular formula C12H18ClF2N3O and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107482089
Molecular FormulaC12H18ClF2N3O
Molecular Weight293.75 g/mol
Exact Mass293.11
IUPAC Name2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCCCc1nc(Cl)c(C)c(N(CCO)CC(F)F)n1
InChIInChI=1S/C12H18ClF2N3O/c1-3-4-10-16-11(13)8(2)12(17-10)18(5-6-19)7-9(14)15/h9,19H,3-7H2,1-2H3
InChIKeyUUMMMKDLFPKJJB-UHFFFAOYSA-N
XLogP2.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.45
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-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107482089) is 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol is CCCc1nc(Cl)c(C)c(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is UUMMMKDLFPKJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClF2N3O/c1-3-4-10-16-11(13)8(2)12(17-10)18(5-6-19)7-9(14)15/h9,19H,3-7H2,1-2H3.
What are the key properties of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 293.75 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107482089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).