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

C21H23N3O2 — CID 118739475

IUPAC2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
SMILESO=C(CC1CC1)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C21H23N3O2/c25-18(10-15-6-7-15)24-9-8-21(13-24)14-26-12-17-11-22-20(23-19(17)21)16-4-2-1-3-5-16/h1-5,11,15H,6-10,12-14H2
InChIKeyUEBRTSMAJHKQGZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.94
Rot. Bonds3

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

2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone (PubChem CID 118739475) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
PubChem CID118739475
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
SMILESO=C(CC1CC1)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C21H23N3O2/c25-18(10-15-6-7-15)24-9-8-21(13-24)14-26-12-17-11-22-20(23-19(17)21)16-4-2-1-3-5-16/h1-5,11,15H,6-10,12-14H2
InChIKeyUEBRTSMAJHKQGZ-UHFFFAOYSA-N
XLogP2.94
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone (CID 118739475) is 2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone is O=C(CC1CC1)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1.
What is the InChIKey of 2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone?
The InChIKey is UEBRTSMAJHKQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-18(10-15-6-7-15)24-9-8-21(13-24)14-26-12-17-11-22-20(23-19(17)21)16-4-2-1-3-5-16/h1-5,11,15H,6-10,12-14H2.
What are the key properties of 2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone?
2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone has a molecular weight of 349.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone is sourced from PubChem (CID 118739475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).