[1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol

C14H15N3O — CID 116902791

IUPAC[1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol
SMILESOCC1(c2nccc(-c3ccncc3)n2)CCC1
InChIInChI=1S/C14H15N3O/c18-10-14(5-1-6-14)13-16-9-4-12(17-13)11-2-7-15-8-3-11/h2-4,7-9,18H,1,5-6,10H2
InChIKeyJZVAOJSQRAILDQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.95
Rot. Bonds3

About [1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol

[1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol (PubChem CID 116902791) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is [1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol
PubChem CID116902791
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name[1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol
SMILESOCC1(c2nccc(-c3ccncc3)n2)CCC1
InChIInChI=1S/C14H15N3O/c18-10-14(5-1-6-14)13-16-9-4-12(17-13)11-2-7-15-8-3-11/h2-4,7-9,18H,1,5-6,10H2
InChIKeyJZVAOJSQRAILDQ-UHFFFAOYSA-N
XLogP1.95
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol?
The IUPAC name of [1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol (CID 116902791) is [1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol.
What is the SMILES notation for [1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol?
The canonical SMILES for [1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol is OCC1(c2nccc(-c3ccncc3)n2)CCC1.
What is the InChIKey of [1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol?
The InChIKey is JZVAOJSQRAILDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-10-14(5-1-6-14)13-16-9-4-12(17-13)11-2-7-15-8-3-11/h2-4,7-9,18H,1,5-6,10H2.
What are the key properties of [1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol?
[1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol has a molecular weight of 241.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-pyridin-4-ylpyrimidin-2-yl)cyclobutyl]methanol is sourced from PubChem (CID 116902791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).