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

C19H28N4O3 — CID 118739787

IUPAC2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C19H28N4O3/c1-18(2,3)16(24)23-5-4-19(12-23)13-26-11-14-10-20-17(21-15(14)19)22-6-8-25-9-7-22/h10H,4-9,11-13H2,1-3H3
InChIKeyKWRLEWNFEBGLBD-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.36
Rot. Bonds1

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

2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one (PubChem CID 118739787) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
PubChem CID118739787
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C19H28N4O3/c1-18(2,3)16(24)23-5-4-19(12-23)13-26-11-14-10-20-17(21-15(14)19)22-6-8-25-9-7-22/h10H,4-9,11-13H2,1-3H3
InChIKeyKWRLEWNFEBGLBD-UHFFFAOYSA-N
XLogP1.36
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one (CID 118739787) is 2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one is CC(C)(C)C(=O)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1.
What is the InChIKey of 2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one?
The InChIKey is KWRLEWNFEBGLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-18(2,3)16(24)23-5-4-19(12-23)13-26-11-14-10-20-17(21-15(14)19)22-6-8-25-9-7-22/h10H,4-9,11-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one?
2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one has a molecular weight of 360.46 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one is sourced from PubChem (CID 118739787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).