2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide

C18H27N5O3 — CID 118739569

IUPAC2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)NC(=O)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C18H27N5O3/c1-13(2)20-17(24)23-4-3-18(11-23)12-26-10-14-9-19-16(21-15(14)18)22-5-7-25-8-6-22/h9,13H,3-8,10-12H2,1-2H3,(H,20,24)
InChIKeyUPPYUFJGROIJJL-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.90
Rot. Bonds2

About 2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide

2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide (PubChem CID 118739569) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
PubChem CID118739569
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)NC(=O)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C18H27N5O3/c1-13(2)20-17(24)23-4-3-18(11-23)12-26-10-14-9-19-16(21-15(14)18)22-5-7-25-8-6-22/h9,13H,3-8,10-12H2,1-2H3,(H,20,24)
InChIKeyUPPYUFJGROIJJL-UHFFFAOYSA-N
XLogP0.90
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide (CID 118739569) is 2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide is CC(C)NC(=O)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1.
What is the InChIKey of 2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is UPPYUFJGROIJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-13(2)20-17(24)23-4-3-18(11-23)12-26-10-14-9-19-16(21-15(14)18)22-5-7-25-8-6-22/h9,13H,3-8,10-12H2,1-2H3,(H,20,24).
What are the key properties of 2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 118739569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).