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

C16H24N4O2 — CID 118739700

IUPAC1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]propan-1-one
SMILESCCC(=O)N1CCC2(COCc3c(C)nc(N(C)C)nc32)C1
InChIInChI=1S/C16H24N4O2/c1-5-13(21)20-7-6-16(9-20)10-22-8-12-11(2)17-15(19(3)4)18-14(12)16/h5-10H2,1-4H3
InChIKeyQLXBBHPRDRXLER-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.26
Rot. Bonds2

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

1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]propan-1-one (PubChem CID 118739700) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]propan-1-one
PubChem CID118739700
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]propan-1-one
SMILESCCC(=O)N1CCC2(COCc3c(C)nc(N(C)C)nc32)C1
InChIInChI=1S/C16H24N4O2/c1-5-13(21)20-7-6-16(9-20)10-22-8-12-11(2)17-15(19(3)4)18-14(12)16/h5-10H2,1-4H3
InChIKeyQLXBBHPRDRXLER-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]propan-1-one?
The IUPAC name of 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]propan-1-one (CID 118739700) is 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]propan-1-one.
What is the SMILES notation for 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]propan-1-one?
The canonical SMILES for 1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]propan-1-one is CCC(=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]propan-1-one?
The InChIKey is QLXBBHPRDRXLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-5-13(21)20-7-6-16(9-20)10-22-8-12-11(2)17-15(19(3)4)18-14(12)16/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]propan-1-one?
1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]propan-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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]propan-1-one is sourced from PubChem (CID 118739700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).