[1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol

C9H13N3O — CID 130792947

IUPAC[1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol
SMILESOCC1CN(Cc2ccncn2)C1
InChIInChI=1S/C9H13N3O/c13-6-8-3-12(4-8)5-9-1-2-10-7-11-9/h1-2,7-8,13H,3-6H2
InChIKeyHPNVFJPSGPQRON-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.10
Rot. Bonds3

About [1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol

[1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol (PubChem CID 130792947) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is [1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol
PubChem CID130792947
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name[1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol
SMILESOCC1CN(Cc2ccncn2)C1
InChIInChI=1S/C9H13N3O/c13-6-8-3-12(4-8)5-9-1-2-10-7-11-9/h1-2,7-8,13H,3-6H2
InChIKeyHPNVFJPSGPQRON-UHFFFAOYSA-N
XLogP-0.10
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol?
The IUPAC name of [1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol (CID 130792947) is [1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol is OCC1CN(Cc2ccncn2)C1.
What is the InChIKey of [1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol?
The InChIKey is HPNVFJPSGPQRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-6-8-3-12(4-8)5-9-1-2-10-7-11-9/h1-2,7-8,13H,3-6H2.
What are the key properties of [1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol?
[1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol has a molecular weight of 179.22 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methanol is sourced from PubChem (CID 130792947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).