1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol

C10H13F3N2O — CID 79964347

IUPAC1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol
SMILESCc1nc(CCC(F)(F)F)ncc1C(C)O
InChIInChI=1S/C10H13F3N2O/c1-6-8(7(2)16)5-14-9(15-6)3-4-10(11,12)13/h5,7,16H,3-4H2,1-2H3
InChIKeyLROOSMOJEMRZKG-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol

1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol (PubChem CID 79964347) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol
PubChem CID79964347
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol
SMILESCc1nc(CCC(F)(F)F)ncc1C(C)O
InChIInChI=1S/C10H13F3N2O/c1-6-8(7(2)16)5-14-9(15-6)3-4-10(11,12)13/h5,7,16H,3-4H2,1-2H3
InChIKeyLROOSMOJEMRZKG-UHFFFAOYSA-N
XLogP2.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol (CID 79964347) is 1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol is Cc1nc(CCC(F)(F)F)ncc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol?
The InChIKey is LROOSMOJEMRZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6-8(7(2)16)5-14-9(15-6)3-4-10(11,12)13/h5,7,16H,3-4H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol?
1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol has a molecular weight of 234.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 79964347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).