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

C18H24N4O3 — CID 118739570

IUPACcyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone
SMILESO=C(C1CC1)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C18H24N4O3/c23-16(13-1-2-13)22-4-3-18(11-22)12-25-10-14-9-19-17(20-15(14)18)21-5-7-24-8-6-21/h9,13H,1-8,10-12H2
InChIKeyUHVPUKBRCUUKCG-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.72
Rot. Bonds2

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

cyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone (PubChem CID 118739570) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is cyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone
PubChem CID118739570
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Namecyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone
SMILESO=C(C1CC1)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C18H24N4O3/c23-16(13-1-2-13)22-4-3-18(11-22)12-25-10-14-9-19-17(20-15(14)18)21-5-7-24-8-6-21/h9,13H,1-8,10-12H2
InChIKeyUHVPUKBRCUUKCG-UHFFFAOYSA-N
XLogP0.72
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone?
The IUPAC name of cyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone (CID 118739570) is cyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone.
What is the SMILES notation for cyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone?
The canonical SMILES for cyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone is O=C(C1CC1)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1.
What is the InChIKey of cyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone?
The InChIKey is UHVPUKBRCUUKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-16(13-1-2-13)22-4-3-18(11-22)12-25-10-14-9-19-17(20-15(14)18)21-5-7-24-8-6-21/h9,13H,1-8,10-12H2.
What are the key properties of cyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone?
cyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)methanone is sourced from PubChem (CID 118739570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).