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

C12H17ClF3N3O — CID 107482165

IUPAC2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCc1nc(Cl)c(C)c(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C12H17ClF3N3O/c1-3-4-9-17-10(13)8(2)11(18-9)19(5-6-20)7-12(14,15)16/h20H,3-7H2,1-2H3
InChIKeyCLJHLJZKOBJCHC-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.75
Rot. Bonds6

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

2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107482165) has the molecular formula C12H17ClF3N3O and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107482165
Molecular FormulaC12H17ClF3N3O
Molecular Weight311.74 g/mol
Exact Mass311.10
IUPAC Name2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCc1nc(Cl)c(C)c(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C12H17ClF3N3O/c1-3-4-9-17-10(13)8(2)11(18-9)19(5-6-20)7-12(14,15)16/h20H,3-7H2,1-2H3
InChIKeyCLJHLJZKOBJCHC-UHFFFAOYSA-N
XLogP2.75
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.75
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)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107482165) is 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CCCc1nc(Cl)c(C)c(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is CLJHLJZKOBJCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3O/c1-3-4-9-17-10(13)8(2)11(18-9)19(5-6-20)7-12(14,15)16/h20H,3-7H2,1-2H3.
What are the key properties of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 311.74 g/mol, XLogP of 2.75, 6 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)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107482165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).