1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

C17H26N4O2 — CID 118739154

IUPAC1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCCN1CCC2(COCc3c(C)nc(N4CCOCC4)nc32)C1
InChIInChI=1S/C17H26N4O2/c1-3-20-5-4-17(11-20)12-23-10-14-13(2)18-16(19-15(14)17)21-6-8-22-9-7-21/h3-12H2,1-2H3
InChIKeyCQWZFLOGTWPQDX-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.12
Rot. Bonds2

About 1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 118739154) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID118739154
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCCN1CCC2(COCc3c(C)nc(N4CCOCC4)nc32)C1
InChIInChI=1S/C17H26N4O2/c1-3-20-5-4-17(11-20)12-23-10-14-13(2)18-16(19-15(14)17)21-6-8-22-9-7-21/h3-12H2,1-2H3
InChIKeyCQWZFLOGTWPQDX-UHFFFAOYSA-N
XLogP1.12
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 118739154) is 1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is CCN1CCC2(COCc3c(C)nc(N4CCOCC4)nc32)C1.
What is the InChIKey of 1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is CQWZFLOGTWPQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-20-5-4-17(11-20)12-23-10-14-13(2)18-16(19-15(14)17)21-6-8-22-9-7-21/h3-12H2,1-2H3.
What are the key properties of 1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 318.42 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 118739154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).