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

C11H15ClF3N3O — CID 107482170

IUPAC2-[(6-chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCc1c(Cl)ncnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H15ClF3N3O/c1-2-3-8-9(12)16-7-17-10(8)18(4-5-19)6-11(13,14)15/h7,19H,2-6H2,1H3
InChIKeyBPTIRISSKMHSGT-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.44
Rot. Bonds6

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

2-[(6-chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107482170) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-[(6-chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107482170
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC Name2-[(6-chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCc1c(Cl)ncnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H15ClF3N3O/c1-2-3-8-9(12)16-7-17-10(8)18(4-5-19)6-11(13,14)15/h7,19H,2-6H2,1H3
InChIKeyBPTIRISSKMHSGT-UHFFFAOYSA-N
XLogP2.44
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.44
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-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107482170) is 2-[(6-chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CCCc1c(Cl)ncnc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(6-chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is BPTIRISSKMHSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O/c1-2-3-8-9(12)16-7-17-10(8)18(4-5-19)6-11(13,14)15/h7,19H,2-6H2,1H3.
What are the key properties of 2-[(6-chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(6-chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 297.71 g/mol, XLogP of 2.44, 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-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107482170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).