bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol

C11H6F6N4O — CID 19702789

IUPACbis[4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOC(c1cncnc1C(F)(F)F)c1cncnc1C(F)(F)F
InChIInChI=1S/C11H6F6N4O/c12-10(13,14)8-5(1-18-3-20-8)7(22)6-2-19-4-21-9(6)11(15,16)17/h1-4,7,22H
InChIKeyAFYDUCQWGXHQSO-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.39
Rot. Bonds2

About bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol

bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 19702789) has the molecular formula C11H6F6N4O and a molecular weight of 324.18 g/mol. Its IUPAC name is bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Namebis[4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID19702789
Molecular FormulaC11H6F6N4O
Molecular Weight324.18 g/mol
Exact Mass324.04
IUPAC Namebis[4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOC(c1cncnc1C(F)(F)F)c1cncnc1C(F)(F)F
InChIInChI=1S/C11H6F6N4O/c12-10(13,14)8-5(1-18-3-20-8)7(22)6-2-19-4-21-9(6)11(15,16)17/h1-4,7,22H
InChIKeyAFYDUCQWGXHQSO-UHFFFAOYSA-N
XLogP2.39
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 19702789) is bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol is OC(c1cncnc1C(F)(F)F)c1cncnc1C(F)(F)F.
What is the InChIKey of bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is AFYDUCQWGXHQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N4O/c12-10(13,14)8-5(1-18-3-20-8)7(22)6-2-19-4-21-9(6)11(15,16)17/h1-4,7,22H.
What are the key properties of bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol?
bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 324.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 19702789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).