4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine

C10H15N3O2 — CID 176626121

IUPAC4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine
SMILESCOCc1ccnc(OC2CN(C)C2)n1
InChIInChI=1S/C10H15N3O2/c1-13-5-9(6-13)15-10-11-4-3-8(12-10)7-14-2/h3-4,9H,5-7H2,1-2H3
InChIKeyBETNUEDCKIBTOT-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.32
Rot. Bonds4

About 4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine

4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine (PubChem CID 176626121) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine
PubChem CID176626121
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine
SMILESCOCc1ccnc(OC2CN(C)C2)n1
InChIInChI=1S/C10H15N3O2/c1-13-5-9(6-13)15-10-11-4-3-8(12-10)7-14-2/h3-4,9H,5-7H2,1-2H3
InChIKeyBETNUEDCKIBTOT-UHFFFAOYSA-N
XLogP0.32
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine?
The IUPAC name of 4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine (CID 176626121) is 4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine.
What is the SMILES notation for 4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine?
The canonical SMILES for 4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine is COCc1ccnc(OC2CN(C)C2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine?
The InChIKey is BETNUEDCKIBTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-5-9(6-13)15-10-11-4-3-8(12-10)7-14-2/h3-4,9H,5-7H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine?
4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine has a molecular weight of 209.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine is sourced from PubChem (CID 176626121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).