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

C11H9F3N4O2 — CID 19702800

IUPAC(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESCOc1ncncc1C(O)c1cncnc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O2/c1-20-10-7(3-16-5-18-10)8(19)6-2-15-4-17-9(6)11(12,13)14/h2-5,8,19H,1H3
InChIKeyGZDPUIXCUHIIFU-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.38
Rot. Bonds3

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

(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 19702800) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is (4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID19702800
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESCOc1ncncc1C(O)c1cncnc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O2/c1-20-10-7(3-16-5-18-10)8(19)6-2-15-4-17-9(6)11(12,13)14/h2-5,8,19H,1H3
InChIKeyGZDPUIXCUHIIFU-UHFFFAOYSA-N
XLogP1.38
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of (4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 19702800) is (4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for (4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for (4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol is COc1ncncc1C(O)c1cncnc1C(F)(F)F.
What is the InChIKey of (4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is GZDPUIXCUHIIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-20-10-7(3-16-5-18-10)8(19)6-2-15-4-17-9(6)11(12,13)14/h2-5,8,19H,1H3.
What are the key properties of (4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol?
(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 286.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 19702800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).