1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone

C16H24N4O3 — CID 118739304

IUPAC1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(COCc3c(C)nc(N(C)C)nc32)C1
InChIInChI=1S/C16H24N4O3/c1-11-12-7-23-10-16(14(12)18-15(17-11)19(2)3)5-6-20(9-16)13(21)8-22-4/h5-10H2,1-4H3
InChIKeyLUDSFZHJJXAQIY-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.50
Rot. Bonds3

About 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone

1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone (PubChem CID 118739304) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone
PubChem CID118739304
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(COCc3c(C)nc(N(C)C)nc32)C1
InChIInChI=1S/C16H24N4O3/c1-11-12-7-23-10-16(14(12)18-15(17-11)19(2)3)5-6-20(9-16)13(21)8-22-4/h5-10H2,1-4H3
InChIKeyLUDSFZHJJXAQIY-UHFFFAOYSA-N
XLogP0.50
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone?
The IUPAC name of 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone (CID 118739304) is 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone?
The canonical SMILES for 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone is COCC(=O)N1CCC2(COCc3c(C)nc(N(C)C)nc32)C1.
What is the InChIKey of 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone?
The InChIKey is LUDSFZHJJXAQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-12-7-23-10-16(14(12)18-15(17-11)19(2)3)5-6-20(9-16)13(21)8-22-4/h5-10H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone?
1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone has a molecular weight of 320.39 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone is sourced from PubChem (CID 118739304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).