2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine

C11H17N3O2 — CID 169307476

IUPAC2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine
SMILESCOc1ncc(CN2CC(C)(OC)C2)cn1
InChIInChI=1S/C11H17N3O2/c1-11(16-3)7-14(8-11)6-9-4-12-10(15-2)13-5-9/h4-5H,6-8H2,1-3H3
InChIKeyPFVOLPGDIOFVKM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.71
Rot. Bonds4

About 2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine

2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine (PubChem CID 169307476) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine
PubChem CID169307476
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine
SMILESCOc1ncc(CN2CC(C)(OC)C2)cn1
InChIInChI=1S/C11H17N3O2/c1-11(16-3)7-14(8-11)6-9-4-12-10(15-2)13-5-9/h4-5H,6-8H2,1-3H3
InChIKeyPFVOLPGDIOFVKM-UHFFFAOYSA-N
XLogP0.71
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine (CID 169307476) is 2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine is COc1ncc(CN2CC(C)(OC)C2)cn1.
What is the InChIKey of 2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine?
The InChIKey is PFVOLPGDIOFVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(16-3)7-14(8-11)6-9-4-12-10(15-2)13-5-9/h4-5H,6-8H2,1-3H3.
What are the key properties of 2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine?
2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine has a molecular weight of 223.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 169307476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).