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

C19H26N4O3 — CID 118739750

IUPACcyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone
SMILESO=C(C1CCC1)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C19H26N4O3/c24-17(14-2-1-3-14)23-5-4-19(12-23)13-26-11-15-10-20-18(21-16(15)19)22-6-8-25-9-7-22/h10,14H,1-9,11-13H2
InChIKeyLVQBBKXOKMYEQV-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.11
Rot. Bonds2

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

cyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone (PubChem CID 118739750) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is cyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone
PubChem CID118739750
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Namecyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone
SMILESO=C(C1CCC1)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C19H26N4O3/c24-17(14-2-1-3-14)23-5-4-19(12-23)13-26-11-15-10-20-18(21-16(15)19)22-6-8-25-9-7-22/h10,14H,1-9,11-13H2
InChIKeyLVQBBKXOKMYEQV-UHFFFAOYSA-N
XLogP1.11
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone?
The IUPAC name of cyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone (CID 118739750) is cyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone.
What is the SMILES notation for cyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone?
The canonical SMILES for cyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone is O=C(C1CCC1)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1.
What is the InChIKey of cyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone?
The InChIKey is LVQBBKXOKMYEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-17(14-2-1-3-14)23-5-4-19(12-23)13-26-11-15-10-20-18(21-16(15)19)22-6-8-25-9-7-22/h10,14H,1-9,11-13H2.
What are the key properties of cyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone?
cyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone has a molecular weight of 358.44 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone is sourced from PubChem (CID 118739750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).