1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol

C9H13N3O2 — CID 126848634

IUPAC1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol
SMILESCOCc1cc(N2CC(O)C2)ncn1
InChIInChI=1S/C9H13N3O2/c1-14-5-7-2-9(11-6-10-7)12-3-8(13)4-12/h2,6,8,13H,3-5H2,1H3
InChIKeyHZMHIKPDUWUBHW-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.20
Rot. Bonds3

About 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol

1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol (PubChem CID 126848634) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol
PubChem CID126848634
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol
SMILESCOCc1cc(N2CC(O)C2)ncn1
InChIInChI=1S/C9H13N3O2/c1-14-5-7-2-9(11-6-10-7)12-3-8(13)4-12/h2,6,8,13H,3-5H2,1H3
InChIKeyHZMHIKPDUWUBHW-UHFFFAOYSA-N
XLogP-0.20
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol (CID 126848634) is 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol is COCc1cc(N2CC(O)C2)ncn1.
What is the InChIKey of 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol?
The InChIKey is HZMHIKPDUWUBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-5-7-2-9(11-6-10-7)12-3-8(13)4-12/h2,6,8,13H,3-5H2,1H3.
What are the key properties of 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol?
1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol has a molecular weight of 195.22 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 126848634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).