(4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol

C21H19F3N2O — CID 56669320

IUPAC(4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cncnc2)cc1
InChIInChI=1S/C21H19F3N2O/c1-14(2)15-3-5-16(6-4-15)20(27,19-11-25-13-26-12-19)17-7-9-18(10-8-17)21(22,23)24/h3-14,27H,1-2H3
InChIKeyCUHRJNIKOAMGLR-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.90
Rot. Bonds4

About (4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol

(4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 56669320) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID56669320
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name(4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cncnc2)cc1
InChIInChI=1S/C21H19F3N2O/c1-14(2)15-3-5-16(6-4-15)20(27,19-11-25-13-26-12-19)17-7-9-18(10-8-17)21(22,23)24/h3-14,27H,1-2H3
InChIKeyCUHRJNIKOAMGLR-UHFFFAOYSA-N
XLogP4.90
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol (CID 56669320) is (4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol is CC(C)c1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cncnc2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is CUHRJNIKOAMGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c1-14(2)15-3-5-16(6-4-15)20(27,19-11-25-13-26-12-19)17-7-9-18(10-8-17)21(22,23)24/h3-14,27H,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol?
(4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 372.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)-pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 56669320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).