5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one

C15H15N3O2 — CID 143851645

IUPAC5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one
SMILESCC1C=C2CC3(CC2=CC1)OC(=O)Nc1ncncc13
InChIInChI=1S/C15H15N3O2/c1-9-2-3-10-5-15(6-11(10)4-9)12-7-16-8-17-13(12)18-14(19)20-15/h3-4,7-9H,2,5-6H2,1H3,(H,16,17,18,19)
InChIKeyQZYJOWDVDTXLKE-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.92
Rot. Bonds

About 5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one

5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one (PubChem CID 143851645) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one.

Molecular Properties

Compound Name5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one
PubChem CID143851645
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one
SMILESCC1C=C2CC3(CC2=CC1)OC(=O)Nc1ncncc13
InChIInChI=1S/C15H15N3O2/c1-9-2-3-10-5-15(6-11(10)4-9)12-7-16-8-17-13(12)18-14(19)20-15/h3-4,7-9H,2,5-6H2,1H3,(H,16,17,18,19)
InChIKeyQZYJOWDVDTXLKE-UHFFFAOYSA-N
XLogP2.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one?
The IUPAC name of 5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one (CID 143851645) is 5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one.
What is the SMILES notation for 5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one?
The canonical SMILES for 5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one is CC1C=C2CC3(CC2=CC1)OC(=O)Nc1ncncc13.
What is the InChIKey of 5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one?
The InChIKey is QZYJOWDVDTXLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-2-3-10-5-15(6-11(10)4-9)12-7-16-8-17-13(12)18-14(19)20-15/h3-4,7-9H,2,5-6H2,1H3,(H,16,17,18,19).
What are the key properties of 5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one?
5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one has a molecular weight of 269.30 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one is sourced from PubChem (CID 143851645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).