4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine

C12H17N3O — CID 126820980

IUPAC4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine
SMILESCOC1(C)CN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C12H17N3O/c1-12(16-2)6-15(7-12)11-5-10(9-3-4-9)13-8-14-11/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyWNTBLHLCRAIIMS-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.58
Rot. Bonds3

About 4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine

4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine (PubChem CID 126820980) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine
PubChem CID126820980
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine
SMILESCOC1(C)CN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C12H17N3O/c1-12(16-2)6-15(7-12)11-5-10(9-3-4-9)13-8-14-11/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyWNTBLHLCRAIIMS-UHFFFAOYSA-N
XLogP1.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine?
The IUPAC name of 4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine (CID 126820980) is 4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine is COC1(C)CN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of 4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine?
The InChIKey is WNTBLHLCRAIIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(16-2)6-15(7-12)11-5-10(9-3-4-9)13-8-14-11/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine?
4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine has a molecular weight of 219.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(3-methoxy-3-methylazetidin-1-yl)pyrimidine is sourced from PubChem (CID 126820980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).