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

C19H21N3O3 — CID 118739474

IUPAC2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
SMILESCOCC(=O)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C19H21N3O3/c1-24-11-16(23)22-8-7-19(12-22)13-25-10-15-9-20-18(21-17(15)19)14-5-3-2-4-6-14/h2-6,9H,7-8,10-13H2,1H3
InChIKeyYLOPRKXYLNIPLL-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.79
Rot. Bonds3

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

2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone (PubChem CID 118739474) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
PubChem CID118739474
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
SMILESCOCC(=O)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C19H21N3O3/c1-24-11-16(23)22-8-7-19(12-22)13-25-10-15-9-20-18(21-17(15)19)14-5-3-2-4-6-14/h2-6,9H,7-8,10-13H2,1H3
InChIKeyYLOPRKXYLNIPLL-UHFFFAOYSA-N
XLogP1.79
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 53147016
Rel-2-(4-fluorophenoxy)-1-[(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[D]pyrimidin-10-YL]ethanone
CID 110196619
Rel-1-[(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[D]pyrimidin-10-YL]-2-phenoxyethanone
CID 110196639
2-Phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118739470
2-phenyl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 118739472
Cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone
CID 118739473
2-Cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 118739475
1'-Methylsulfonyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118739476
N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 118739492
1'-benzyl-N-(cyclopropylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 118739530
N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide
CID 118739753
2,2-Dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
CID 118739787

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone?
The IUPAC name of 2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone (CID 118739474) is 2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone is COCC(=O)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1.
What is the InChIKey of 2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone?
The InChIKey is YLOPRKXYLNIPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-11-16(23)22-8-7-19(12-22)13-25-10-15-9-20-18(21-17(15)19)14-5-3-2-4-6-14/h2-6,9H,7-8,10-13H2,1H3.
What are the key properties of 2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone?
2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone has a molecular weight of 339.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone is sourced from PubChem (CID 118739474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).