9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid

C10H12N2O4 — CID 91584933

IUPAC9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESCC1(C)OCCn2c1nc(C(=O)O)cc2=O
InChIInChI=1S/C10H12N2O4/c1-10(2)9-11-6(8(14)15)5-7(13)12(9)3-4-16-10/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyMGJVUJFFGJFGTK-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.21
Rot. Bonds1

About 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid

9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (PubChem CID 91584933) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
PubChem CID91584933
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESCC1(C)OCCn2c1nc(C(=O)O)cc2=O
InChIInChI=1S/C10H12N2O4/c1-10(2)9-11-6(8(14)15)5-7(13)12(9)3-4-16-10/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyMGJVUJFFGJFGTK-UHFFFAOYSA-N
XLogP0.21
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-Hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
CID 54708342
Ethyl 3-hydroxy-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708345
Methyl 3-hydroxy-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 54708350
3-Methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
CID 58458931
3-Butoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
CID 68219110
7-ethyl-6-hydroxy-4-oxo-9-propan-2-yl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
CID 69085136
7-Ethyl-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
CID 69088308
6-Ethyl-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
CID 69088309
3'-Hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid
CID 69195239
ethyl (6S)-6-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
CID 69478474
9,9-Dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90770449
4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboperoxoic acid
CID 90856795

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (CID 91584933) is 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is CC1(C)OCCn2c1nc(C(=O)O)cc2=O.
What is the InChIKey of 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The InChIKey is MGJVUJFFGJFGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-10(2)9-11-6(8(14)15)5-7(13)12(9)3-4-16-10/h5H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 91584933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).