2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol

C16H15F3N2O — CID 22250819

IUPAC2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol
SMILESOCCc1cnc(-c2ccc(C(F)(F)F)cc2)nc1C1CC1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)13-5-3-11(4-6-13)15-20-9-12(7-8-22)14(21-15)10-1-2-10/h3-6,9-10,22H,1-2,7-8H2
InChIKeyICPPBYOWPQLVJT-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.57
Rot. Bonds4

About 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol

2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol (PubChem CID 22250819) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol
PubChem CID22250819
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol
SMILESOCCc1cnc(-c2ccc(C(F)(F)F)cc2)nc1C1CC1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)13-5-3-11(4-6-13)15-20-9-12(7-8-22)14(21-15)10-1-2-10/h3-6,9-10,22H,1-2,7-8H2
InChIKeyICPPBYOWPQLVJT-UHFFFAOYSA-N
XLogP3.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol?
The IUPAC name of 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol (CID 22250819) is 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol.
What is the SMILES notation for 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol?
The canonical SMILES for 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol is OCCc1cnc(-c2ccc(C(F)(F)F)cc2)nc1C1CC1.
What is the InChIKey of 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol?
The InChIKey is ICPPBYOWPQLVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c17-16(18,19)13-5-3-11(4-6-13)15-20-9-12(7-8-22)14(21-15)10-1-2-10/h3-6,9-10,22H,1-2,7-8H2.
What are the key properties of 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol?
2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol has a molecular weight of 308.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol is sourced from PubChem (CID 22250819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).