3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine

C12H20N4O — CID 112639508

IUPAC3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine
SMILESCCC1(N)CN(c2nccc(OC(C)C)n2)C1
InChIInChI=1S/C12H20N4O/c1-4-12(13)7-16(8-12)11-14-6-5-10(15-11)17-9(2)3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeySGOGIFLHNYCFSF-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.19
Rot. Bonds4

About 3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine

3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine (PubChem CID 112639508) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine
PubChem CID112639508
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine
SMILESCCC1(N)CN(c2nccc(OC(C)C)n2)C1
InChIInChI=1S/C12H20N4O/c1-4-12(13)7-16(8-12)11-14-6-5-10(15-11)17-9(2)3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeySGOGIFLHNYCFSF-UHFFFAOYSA-N
XLogP1.19
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine?
The IUPAC name of 3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine (CID 112639508) is 3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine.
What is the SMILES notation for 3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine?
The canonical SMILES for 3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine is CCC1(N)CN(c2nccc(OC(C)C)n2)C1.
What is the InChIKey of 3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine?
The InChIKey is SGOGIFLHNYCFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-12(13)7-16(8-12)11-14-6-5-10(15-11)17-9(2)3/h5-6,9H,4,7-8,13H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine?
3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine has a molecular weight of 236.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine is sourced from PubChem (CID 112639508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).