spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide

C11H13N3O2 — CID 69208425

IUPACspiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide
SMILESNC(=O)C1=CCN2C=COC3(CCC3)C2=N1
InChIInChI=1S/C11H13N3O2/c12-9(15)8-2-5-14-6-7-16-11(3-1-4-11)10(14)13-8/h2,6-7H,1,3-5H2,(H2,12,15)
InChIKeyDOQSSTFNSDIVJR-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.49
Rot. Bonds1

About spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide

spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide (PubChem CID 69208425) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide.

Molecular Properties

Compound Namespiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide
PubChem CID69208425
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namespiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide
SMILESNC(=O)C1=CCN2C=COC3(CCC3)C2=N1
InChIInChI=1S/C11H13N3O2/c12-9(15)8-2-5-14-6-7-16-11(3-1-4-11)10(14)13-8/h2,6-7H,1,3-5H2,(H2,12,15)
InChIKeyDOQSSTFNSDIVJR-UHFFFAOYSA-N
XLogP0.49
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide?
The IUPAC name of spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide (CID 69208425) is spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide.
What is the SMILES notation for spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide?
The canonical SMILES for spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide is NC(=O)C1=CCN2C=COC3(CCC3)C2=N1.
What is the InChIKey of spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide?
The InChIKey is DOQSSTFNSDIVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-9(15)8-2-5-14-6-7-16-11(3-1-4-11)10(14)13-8/h2,6-7H,1,3-5H2,(H2,12,15).
What are the key properties of spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide?
spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxamide is sourced from PubChem (CID 69208425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).