methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate

C11H14N2O5 — CID 54708350

IUPACmethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C11H14N2O5/c1-11(2)10-12-6(9(16)17-3)7(14)8(15)13(10)4-5-18-11/h14H,4-5H2,1-3H3
InChIKeyXWYPWFCPMXYXLT-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.00
Rot. Bonds1

About methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate

methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate (PubChem CID 54708350) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
PubChem CID54708350
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Namemethyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C
InChIInChI=1S/C11H14N2O5/c1-11(2)10-12-6(9(16)17-3)7(14)8(15)13(10)4-5-18-11/h14H,4-5H2,1-3H3
InChIKeyXWYPWFCPMXYXLT-UHFFFAOYSA-N
XLogP0.00
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate (CID 54708350) is methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate is COC(=O)c1nc2n(c(=O)c1O)CCOC2(C)C.
What is the InChIKey of methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
The InChIKey is XWYPWFCPMXYXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-11(2)10-12-6(9(16)17-3)7(14)8(15)13(10)4-5-18-11/h14H,4-5H2,1-3H3.
What are the key properties of methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate?
methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate has a molecular weight of 254.24 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylate is sourced from PubChem (CID 54708350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).