4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one

C8H11N3O3 — CID 114586446

IUPAC4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CNC2)nc[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-13-6-7(12)10-4-11-8(6)14-5-2-9-3-5/h4-5,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyUTMBTQLRIDAONQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.87
Rot. Bonds3

About 4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one

4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114586446) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one
PubChem CID114586446
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CNC2)nc[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-13-6-7(12)10-4-11-8(6)14-5-2-9-3-5/h4-5,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyUTMBTQLRIDAONQ-UHFFFAOYSA-N
XLogP-0.87
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one (CID 114586446) is 4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one is COc1c(OC2CNC2)nc[nH]c1=O.
What is the InChIKey of 4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is UTMBTQLRIDAONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-13-6-7(12)10-4-11-8(6)14-5-2-9-3-5/h4-5,9H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one?
4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 197.19 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).