5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine

C9H14N4O — CID 130870013

IUPAC5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine
SMILESCOc1cnc(NC2(C)CNC2)nc1
InChIInChI=1S/C9H14N4O/c1-9(5-10-6-9)13-8-11-3-7(14-2)4-12-8/h3-4,10H,5-6H2,1-2H3,(H,11,12,13)
InChIKeyXVZGXBQHEXRHKZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.26
Rot. Bonds3

About 5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine

5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine (PubChem CID 130870013) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine
PubChem CID130870013
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine
SMILESCOc1cnc(NC2(C)CNC2)nc1
InChIInChI=1S/C9H14N4O/c1-9(5-10-6-9)13-8-11-3-7(14-2)4-12-8/h3-4,10H,5-6H2,1-2H3,(H,11,12,13)
InChIKeyXVZGXBQHEXRHKZ-UHFFFAOYSA-N
XLogP0.26
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine (CID 130870013) is 5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine is COc1cnc(NC2(C)CNC2)nc1.
What is the InChIKey of 5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine?
The InChIKey is XVZGXBQHEXRHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-9(5-10-6-9)13-8-11-3-7(14-2)4-12-8/h3-4,10H,5-6H2,1-2H3,(H,11,12,13).
What are the key properties of 5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine?
5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine has a molecular weight of 194.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 130870013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).