3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine

C11H18N4O — CID 66333706

IUPAC3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine
SMILESCCC1(N)CN(c2cc(OC)nc(C)n2)C1
InChIInChI=1S/C11H18N4O/c1-4-11(12)6-15(7-11)9-5-10(16-3)14-8(2)13-9/h5H,4,6-7,12H2,1-3H3
InChIKeyIFWPFDWHLPRYOR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.72
Rot. Bonds3

About 3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine

3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine (PubChem CID 66333706) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine.

Molecular Properties

Compound Name3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine
PubChem CID66333706
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine
SMILESCCC1(N)CN(c2cc(OC)nc(C)n2)C1
InChIInChI=1S/C11H18N4O/c1-4-11(12)6-15(7-11)9-5-10(16-3)14-8(2)13-9/h5H,4,6-7,12H2,1-3H3
InChIKeyIFWPFDWHLPRYOR-UHFFFAOYSA-N
XLogP0.72
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine?
The IUPAC name of 3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine (CID 66333706) is 3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine.
What is the SMILES notation for 3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine?
The canonical SMILES for 3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine is CCC1(N)CN(c2cc(OC)nc(C)n2)C1.
What is the InChIKey of 3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine?
The InChIKey is IFWPFDWHLPRYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-11(12)6-15(7-11)9-5-10(16-3)14-8(2)13-9/h5H,4,6-7,12H2,1-3H3.
What are the key properties of 3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine?
3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine has a molecular weight of 222.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)azetidin-3-amine is sourced from PubChem (CID 66333706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).