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

C10H12N4O2 — CID 70986455

IUPACspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2ncncc2C2(CCNCC2)O1
InChIInChI=1S/C10H12N4O2/c15-9-14-8-7(5-12-6-13-8)10(16-9)1-3-11-4-2-10/h5-6,11H,1-4H2,(H,12,13,14,15)
InChIKeyVCSHVGRPWQFJKJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.62
Rot. Bonds

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

spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one (PubChem CID 70986455) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Namespiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one
PubChem CID70986455
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Namespiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2ncncc2C2(CCNCC2)O1
InChIInChI=1S/C10H12N4O2/c15-9-14-8-7(5-12-6-13-8)10(16-9)1-3-11-4-2-10/h5-6,11H,1-4H2,(H,12,13,14,15)
InChIKeyVCSHVGRPWQFJKJ-UHFFFAOYSA-N
XLogP0.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1'-methylspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one
CID 90329217
4,4-dimethyl-1H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 140615612
4-(2-Methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 145240077
4-Ethyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 154024927
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
tert-butyl N-[4-(pyrimidin-5-yl)piperidin-4-yl]carbamate
CID 165578892
tert-butyl N-[5-(piperidin-4-yl)pyrimidin-2-yl]carbamate
CID 165708001

Frequently Asked Questions

What is the IUPAC name of spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one?
The IUPAC name of spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one (CID 70986455) is spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one?
The canonical SMILES for spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one is O=C1Nc2ncncc2C2(CCNCC2)O1.
What is the InChIKey of spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one?
The InChIKey is VCSHVGRPWQFJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-9-14-8-7(5-12-6-13-8)10(16-9)1-3-11-4-2-10/h5-6,11H,1-4H2,(H,12,13,14,15).
What are the key properties of spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one?
spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 70986455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).