2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one

C15H21N3O2 — CID 146069158

IUPAC2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CC2(C1)OCc1nc(C)ncc12
InChIInChI=1S/C15H21N3O2/c1-4-11(5-2)14(19)18-8-15(9-18)12-6-16-10(3)17-13(12)7-20-15/h6,11H,4-5,7-9H2,1-3H3
InChIKeyZUAWASOAWCZCTM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.79
Rot. Bonds3

About 2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one

2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one (PubChem CID 146069158) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one
PubChem CID146069158
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CC2(C1)OCc1nc(C)ncc12
InChIInChI=1S/C15H21N3O2/c1-4-11(5-2)14(19)18-8-15(9-18)12-6-16-10(3)17-13(12)7-20-15/h6,11H,4-5,7-9H2,1-3H3
InChIKeyZUAWASOAWCZCTM-UHFFFAOYSA-N
XLogP1.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one (CID 146069158) is 2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one is CCC(CC)C(=O)N1CC2(C1)OCc1nc(C)ncc12.
What is the InChIKey of 2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one?
The InChIKey is ZUAWASOAWCZCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-11(5-2)14(19)18-8-15(9-18)12-6-16-10(3)17-13(12)7-20-15/h6,11H,4-5,7-9H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one?
2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one has a molecular weight of 275.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one is sourced from PubChem (CID 146069158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).