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

C8H7N3O2 — CID 175812543

IUPACspiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one
SMILESO=C1Nc2ncncc2C2(CC2)O1
InChIInChI=1S/C8H7N3O2/c12-7-11-6-5(3-9-4-10-6)8(13-7)1-2-8/h3-4H,1-2H2,(H,9,10,11,12)
InChIKeyVNBSJJMOMGMCOZ-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.03
Rot. Bonds

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

spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one (PubChem CID 175812543) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one.

Molecular Properties

Compound Namespiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one
PubChem CID175812543
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Namespiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one
SMILESO=C1Nc2ncncc2C2(CC2)O1
InChIInChI=1S/C8H7N3O2/c12-7-11-6-5(3-9-4-10-6)8(13-7)1-2-8/h3-4H,1-2H2,(H,9,10,11,12)
InChIKeyVNBSJJMOMGMCOZ-UHFFFAOYSA-N
XLogP1.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one?
The IUPAC name of spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one (CID 175812543) is spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one.
What is the SMILES notation for spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one?
The canonical SMILES for spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one is O=C1Nc2ncncc2C2(CC2)O1.
What is the InChIKey of spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one?
The InChIKey is VNBSJJMOMGMCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-7-11-6-5(3-9-4-10-6)8(13-7)1-2-8/h3-4H,1-2H2,(H,9,10,11,12).
What are the key properties of spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one?
spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one has a molecular weight of 177.16 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-pyrimido[4,5-d][1,3]oxazine-4,1'-cyclopropane]-2-one is sourced from PubChem (CID 175812543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).