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

C11H9F3N4O — CID 19702788

IUPAC(4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESCc1ncncc1C(O)c1cncnc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c1-6-7(2-15-4-17-6)9(19)8-3-16-5-18-10(8)11(12,13)14/h2-5,9,19H,1H3
InChIKeyMKLNTPSQOKJBCZ-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.68
Rot. Bonds2

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

(4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 19702788) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name(4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID19702788
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name(4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESCc1ncncc1C(O)c1cncnc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c1-6-7(2-15-4-17-6)9(19)8-3-16-5-18-10(8)11(12,13)14/h2-5,9,19H,1H3
InChIKeyMKLNTPSQOKJBCZ-UHFFFAOYSA-N
XLogP1.68
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 19702788) is (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol is Cc1ncncc1C(O)c1cncnc1C(F)(F)F.
What is the InChIKey of (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is MKLNTPSQOKJBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-6-7(2-15-4-17-6)9(19)8-3-16-5-18-10(8)11(12,13)14/h2-5,9,19H,1H3.
What are the key properties of (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol?
(4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 270.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 19702788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).