3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one

C20H23N3O3 — CID 118741164

IUPAC3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
SMILESCOCCC(=O)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C20H23N3O3/c1-25-10-7-17(24)23-9-8-20(13-23)14-26-12-16-11-21-19(22-18(16)20)15-5-3-2-4-6-15/h2-6,11H,7-10,12-14H2,1H3
InChIKeyAYZMNYKPKOHVKM-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.18
Rot. Bonds4

About 3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one

3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one (PubChem CID 118741164) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
PubChem CID118741164
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
SMILESCOCCC(=O)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C20H23N3O3/c1-25-10-7-17(24)23-9-8-20(13-23)14-26-12-16-11-21-19(22-18(16)20)15-5-3-2-4-6-15/h2-6,11H,7-10,12-14H2,1H3
InChIKeyAYZMNYKPKOHVKM-UHFFFAOYSA-N
XLogP2.18
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one?
The IUPAC name of 3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one (CID 118741164) is 3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one is COCCC(=O)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1.
What is the InChIKey of 3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one?
The InChIKey is AYZMNYKPKOHVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-25-10-7-17(24)23-9-8-20(13-23)14-26-12-16-11-21-19(22-18(16)20)15-5-3-2-4-6-15/h2-6,11H,7-10,12-14H2,1H3.
What are the key properties of 3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one?
3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one has a molecular weight of 353.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one is sourced from PubChem (CID 118741164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).