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

C17H23N3O2 — CID 146069283

IUPAC1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CC2(C1)OCc1nc(C3CC3)ncc12
InChIInChI=1S/C17H23N3O2/c1-3-11(4-2)16(21)20-9-17(10-20)13-7-18-15(12-5-6-12)19-14(13)8-22-17/h7,11-12H,3-6,8-10H2,1-2H3
InChIKeyZRVVYTURWOOBKY-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.36
Rot. Bonds4

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

1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one (PubChem CID 146069283) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one
PubChem CID146069283
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CC2(C1)OCc1nc(C3CC3)ncc12
InChIInChI=1S/C17H23N3O2/c1-3-11(4-2)16(21)20-9-17(10-20)13-7-18-15(12-5-6-12)19-14(13)8-22-17/h7,11-12H,3-6,8-10H2,1-2H3
InChIKeyZRVVYTURWOOBKY-UHFFFAOYSA-N
XLogP2.36
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one?
The IUPAC name of 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one (CID 146069283) is 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one?
The canonical SMILES for 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one is CCC(CC)C(=O)N1CC2(C1)OCc1nc(C3CC3)ncc12.
What is the InChIKey of 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one?
The InChIKey is ZRVVYTURWOOBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-11(4-2)16(21)20-9-17(10-20)13-7-18-15(12-5-6-12)19-14(13)8-22-17/h7,11-12H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one?
1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one has a molecular weight of 301.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one is sourced from PubChem (CID 146069283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).