methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate

C20H19N3O2 — CID 71622604

IUPACmethyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate
SMILESCOC(=O)C1=C(C)NC(c2ccccn2)=NC12CCc1ccccc12
InChIInChI=1S/C20H19N3O2/c1-13-17(19(24)25-2)20(11-10-14-7-3-4-8-15(14)20)23-18(22-13)16-9-5-6-12-21-16/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyHIMAHKMGPJVGCX-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.72
Rot. Bonds2

About methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate

methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate (PubChem CID 71622604) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate.

Molecular Properties

Compound Namemethyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate
PubChem CID71622604
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namemethyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate
SMILESCOC(=O)C1=C(C)NC(c2ccccn2)=NC12CCc1ccccc12
InChIInChI=1S/C20H19N3O2/c1-13-17(19(24)25-2)20(11-10-14-7-3-4-8-15(14)20)23-18(22-13)16-9-5-6-12-21-16/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyHIMAHKMGPJVGCX-UHFFFAOYSA-N
XLogP2.72
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate?
The IUPAC name of methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate (CID 71622604) is methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate.
What is the SMILES notation for methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate?
The canonical SMILES for methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate is COC(=O)C1=C(C)NC(c2ccccn2)=NC12CCc1ccccc12.
What is the InChIKey of methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate?
The InChIKey is HIMAHKMGPJVGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-17(19(24)25-2)20(11-10-14-7-3-4-8-15(14)20)23-18(22-13)16-9-5-6-12-21-16/h3-9,12H,10-11H2,1-2H3,(H,22,23).
What are the key properties of methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate?
methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6'-methyl-2'-pyridin-2-ylspiro[1,2-dihydroindene-3,4'-1H-pyrimidine]-5'-carboxylate is sourced from PubChem (CID 71622604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).