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

C17H26N4O3 — CID 118745394

IUPAC1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCOCCN1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C17H26N4O3/c1-22-7-4-20-3-2-17(12-20)13-24-11-14-10-18-16(19-15(14)17)21-5-8-23-9-6-21/h10H,2-9,11-13H2,1H3
InChIKeyJVAIXFLDVUSSCC-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.43
Rot. Bonds4

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

1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 118745394) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID118745394
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCOCCN1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C17H26N4O3/c1-22-7-4-20-3-2-17(12-20)13-24-11-14-10-18-16(19-15(14)17)21-5-8-23-9-6-21/h10H,2-9,11-13H2,1H3
InChIKeyJVAIXFLDVUSSCC-UHFFFAOYSA-N
XLogP0.43
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 118745394) is 1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is COCCN1CCC2(COCc3cnc(N4CCOCC4)nc32)C1.
What is the InChIKey of 1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is JVAIXFLDVUSSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-22-7-4-20-3-2-17(12-20)13-24-11-14-10-18-16(19-15(14)17)21-5-8-23-9-6-21/h10H,2-9,11-13H2,1H3.
What are the key properties of 1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 334.42 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxyethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 118745394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).