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

C11H14N2O5 — CID 58458931

IUPAC3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc2n(c1=O)CCOC2(C)C
InChIInChI=1S/C11H14N2O5/c1-11(2)10-12-6(9(15)16)7(17-3)8(14)13(10)4-5-18-11/h4-5H2,1-3H3,(H,15,16)
InChIKeyJBRNZZAPLDFTDL-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.22
Rot. Bonds2

About 3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid

3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (PubChem CID 58458931) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
PubChem CID58458931
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc2n(c1=O)CCOC2(C)C
InChIInChI=1S/C11H14N2O5/c1-11(2)10-12-6(9(15)16)7(17-3)8(14)13(10)4-5-18-11/h4-5H2,1-3H3,(H,15,16)
InChIKeyJBRNZZAPLDFTDL-UHFFFAOYSA-N
XLogP0.22
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (CID 58458931) is 3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is COc1c(C(=O)O)nc2n(c1=O)CCOC2(C)C.
What is the InChIKey of 3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The InChIKey is JBRNZZAPLDFTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-11(2)10-12-6(9(15)16)7(17-3)8(14)13(10)4-5-18-11/h4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 58458931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).