[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol

C11H11N3O2 — CID 118157116

IUPAC[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(OCc2ccncc2)n1
InChIInChI=1S/C11H11N3O2/c15-7-10-3-6-13-11(14-10)16-8-9-1-4-12-5-2-9/h1-6,15H,7-8H2
InChIKeyBQJPRIPZXUUAJY-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.94
Rot. Bonds4

About [2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol

[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol (PubChem CID 118157116) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is [2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol
PubChem CID118157116
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(OCc2ccncc2)n1
InChIInChI=1S/C11H11N3O2/c15-7-10-3-6-13-11(14-10)16-8-9-1-4-12-5-2-9/h1-6,15H,7-8H2
InChIKeyBQJPRIPZXUUAJY-UHFFFAOYSA-N
XLogP0.94
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol (CID 118157116) is [2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol is OCc1ccnc(OCc2ccncc2)n1.
What is the InChIKey of [2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol?
The InChIKey is BQJPRIPZXUUAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-7-10-3-6-13-11(14-10)16-8-9-1-4-12-5-2-9/h1-6,15H,7-8H2.
What are the key properties of [2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol?
[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol has a molecular weight of 217.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol is sourced from PubChem (CID 118157116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).