cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone

C20H22N4O2 — CID 118739473

IUPACcyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone
SMILESO=C(C1CCC1)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1
InChIInChI=1S/C20H22N4O2/c25-19(14-3-1-4-14)24-8-6-20(12-24)13-26-11-16-10-22-18(23-17(16)20)15-5-2-7-21-9-15/h2,5,7,9-10,14H,1,3-4,6,8,11-13H2
InChIKeyYLYLHYVDOPHZFX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.34
Rot. Bonds2

About cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone

cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone (PubChem CID 118739473) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone
PubChem CID118739473
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Namecyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone
SMILESO=C(C1CCC1)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1
InChIInChI=1S/C20H22N4O2/c25-19(14-3-1-4-14)24-8-6-20(12-24)13-26-11-16-10-22-18(23-17(16)20)15-5-2-7-21-9-15/h2,5,7,9-10,14H,1,3-4,6,8,11-13H2
InChIKeyYLYLHYVDOPHZFX-UHFFFAOYSA-N
XLogP2.34
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3aS,6aS)-3a-(pyridin-3-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-pyrimidin-2-ylmethanone
CID 97421491
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
2-Methoxy-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 118739474
2-Cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 118739475
N,N-dimethyl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 118739492
Cyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone
CID 118739750
N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide
CID 118739753
N,N-dimethyl-2-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)acetamide
CID 118740900
3-Methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
CID 118740901
1'-Cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 118740902
2-Cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 118740903

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone?
The IUPAC name of cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone (CID 118739473) is cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone.
What is the SMILES notation for cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone?
The canonical SMILES for cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone is O=C(C1CCC1)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1.
What is the InChIKey of cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone?
The InChIKey is YLYLHYVDOPHZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(14-3-1-4-14)24-8-6-20(12-24)13-26-11-16-10-22-18(23-17(16)20)15-5-2-7-21-9-15/h2,5,7,9-10,14H,1,3-4,6,8,11-13H2.
What are the key properties of cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone?
cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone is sourced from PubChem (CID 118739473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).