4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine

C13H25N3O — CID 70521792

IUPAC4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESC1CN=C2CCCN2C1.CCN1CCOCC1
InChIInChI=1S/C7H12N2.C6H13NO/c1-3-7-8-4-2-6-9(7)5-1;1-2-7-3-5-8-6-4-7/h1-6H2;2-6H2,1H3
InChIKeyVKGNZMTXXMZUPN-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.22
Rot. Bonds1

About 4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine

4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (PubChem CID 70521792) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
PubChem CID70521792
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESC1CN=C2CCCN2C1.CCN1CCOCC1
InChIInChI=1S/C7H12N2.C6H13NO/c1-3-7-8-4-2-6-9(7)5-1;1-2-7-3-5-8-6-4-7/h1-6H2;2-6H2,1H3
InChIKeyVKGNZMTXXMZUPN-UHFFFAOYSA-N
XLogP1.22
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of 4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (CID 70521792) is 4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is C1CN=C2CCCN2C1.CCN1CCOCC1.
What is the InChIKey of 4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The InChIKey is VKGNZMTXXMZUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H13NO/c1-3-7-8-4-2-6-9(7)5-1;1-2-7-3-5-8-6-4-7/h1-6H2;2-6H2,1H3.
What are the key properties of 4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine has a molecular weight of 239.36 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 70521792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).