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

C11H14N4O2 — CID 90329217

IUPAC1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)OC(=O)Nc1ncncc12
InChIInChI=1S/C11H14N4O2/c1-15-4-2-11(3-5-15)8-6-12-7-13-9(8)14-10(16)17-11/h6-7H,2-5H2,1H3,(H,12,13,14,16)
InChIKeyHDDFTEMVUAIBKX-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.96
Rot. Bonds

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

1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one (PubChem CID 90329217) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one
PubChem CID90329217
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)OC(=O)Nc1ncncc12
InChIInChI=1S/C11H14N4O2/c1-15-4-2-11(3-5-15)8-6-12-7-13-9(8)14-10(16)17-11/h6-7H,2-5H2,1H3,(H,12,13,14,16)
InChIKeyHDDFTEMVUAIBKX-UHFFFAOYSA-N
XLogP0.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one
CID 70986455
4,4-dimethyl-1H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 140615612
5-methylspiro[1,3,5,6-tetrahydroindene-2,4'-1H-pyrimido[4,5-d][1,3]oxazine]-2'-one
CID 143851645
4-(2-Methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 145240077
Tert-butyl 4-(2,4-diaminopyrimidin-5-yl)piperidine-1-carboxylate
CID 153291319
4-Ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 154024927
7-Chloro-1-isopentyl-4,4-dimethyl-pyrimido[4,5-d][1,3]oxazin-2-one
CID 162515765
Tert-butyl 4-(2-chloropyrimidin-5-yl)-4-methoxypiperidine-1-carboxylate
CID 170438528
spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclobutane]-2-one
CID 175812542
spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one
CID 175812543
4-Methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 165025452

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one?
The IUPAC name of 1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one (CID 90329217) is 1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one is CN1CCC2(CC1)OC(=O)Nc1ncncc12.
What is the InChIKey of 1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one?
The InChIKey is HDDFTEMVUAIBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-15-4-2-11(3-5-15)8-6-12-7-13-9(8)14-10(16)17-11/h6-7H,2-5H2,1H3,(H,12,13,14,16).
What are the key properties of 1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one?
1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one has a molecular weight of 234.26 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 90329217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).