1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid

C18H21N5O3 — CID 91289713

IUPAC1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid
SMILESCCN1c2nc(-c3ccncc3)cc(=O)n2CCC12CCN(C(=O)O)C2
InChIInChI=1S/C18H21N5O3/c1-2-23-16-20-14(13-3-7-19-8-4-13)11-15(24)22(16)10-6-18(23)5-9-21(12-18)17(25)26/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,25,26)
InChIKeyQYMPQTTZQZLQQU-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.66
Rot. Bonds2

About 1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid

1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid (PubChem CID 91289713) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid
PubChem CID91289713
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid
SMILESCCN1c2nc(-c3ccncc3)cc(=O)n2CCC12CCN(C(=O)O)C2
InChIInChI=1S/C18H21N5O3/c1-2-23-16-20-14(13-3-7-19-8-4-13)11-15(24)22(16)10-6-18(23)5-9-21(12-18)17(25)26/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,25,26)
InChIKeyQYMPQTTZQZLQQU-UHFFFAOYSA-N
XLogP1.66
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid?
The IUPAC name of 1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid (CID 91289713) is 1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid?
The canonical SMILES for 1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid is CCN1c2nc(-c3ccncc3)cc(=O)n2CCC12CCN(C(=O)O)C2.
What is the InChIKey of 1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid?
The InChIKey is QYMPQTTZQZLQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-2-23-16-20-14(13-3-7-19-8-4-13)11-15(24)22(16)10-6-18(23)5-9-21(12-18)17(25)26/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,25,26).
What are the key properties of 1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid?
1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid has a molecular weight of 355.40 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid is sourced from PubChem (CID 91289713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).