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

C10H12N2O5 — CID 54708342

IUPAC3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESCC1(C)OCCn2c1nc(C(=O)O)c(O)c2=O
InChIInChI=1S/C10H12N2O5/c1-10(2)9-11-5(8(15)16)6(13)7(14)12(9)3-4-17-10/h13H,3-4H2,1-2H3,(H,15,16)
InChIKeyRAXKSMGLBSQKJI-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.09
Rot. Bonds1

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

3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (PubChem CID 54708342) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
PubChem CID54708342
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESCC1(C)OCCn2c1nc(C(=O)O)c(O)c2=O
InChIInChI=1S/C10H12N2O5/c1-10(2)9-11-5(8(15)16)6(13)7(14)12(9)3-4-17-10/h13H,3-4H2,1-2H3,(H,15,16)
InChIKeyRAXKSMGLBSQKJI-UHFFFAOYSA-N
XLogP-0.09
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (CID 54708342) is 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is CC1(C)OCCn2c1nc(C(=O)O)c(O)c2=O.
What is the InChIKey of 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The InChIKey is RAXKSMGLBSQKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-10(2)9-11-5(8(15)16)6(13)7(14)12(9)3-4-17-10/h13H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 54708342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).