spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide

C10H11N3O3 — CID 69208342

IUPACspiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide
SMILESNC(=O)C1=CCN2C=COC3(COC3)C2=N1
InChIInChI=1S/C10H11N3O3/c11-8(14)7-1-2-13-3-4-16-10(5-15-6-10)9(13)12-7/h1,3-4H,2,5-6H2,(H2,11,14)
InChIKeyUVNZQXOZRJSTSK-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.66
Rot. Bonds1

About spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide

spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide (PubChem CID 69208342) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide.

Molecular Properties

Compound Namespiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide
PubChem CID69208342
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namespiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide
SMILESNC(=O)C1=CCN2C=COC3(COC3)C2=N1
InChIInChI=1S/C10H11N3O3/c11-8(14)7-1-2-13-3-4-16-10(5-15-6-10)9(13)12-7/h1,3-4H,2,5-6H2,(H2,11,14)
InChIKeyUVNZQXOZRJSTSK-UHFFFAOYSA-N
XLogP-0.66
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide?
The IUPAC name of spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide (CID 69208342) is spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide.
What is the SMILES notation for spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide?
The canonical SMILES for spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide is NC(=O)C1=CCN2C=COC3(COC3)C2=N1.
What is the InChIKey of spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide?
The InChIKey is UVNZQXOZRJSTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-8(14)7-1-2-13-3-4-16-10(5-15-6-10)9(13)12-7/h1,3-4H,2,5-6H2,(H2,11,14).
What are the key properties of spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide?
spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide has a molecular weight of 221.22 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide is sourced from PubChem (CID 69208342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).