4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid

C8H10N2O3 — CID 91313591

IUPAC4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESO=C(O)C1=CCN2CCOCC2=N1
InChIInChI=1S/C8H10N2O3/c11-8(12)6-1-2-10-3-4-13-5-7(10)9-6/h1H,2-5H2,(H,11,12)
InChIKeyWZOYHCGUBOLGKA-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.30
Rot. Bonds1

About 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid

4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (PubChem CID 91313591) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
PubChem CID91313591
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid
SMILESO=C(O)C1=CCN2CCOCC2=N1
InChIInChI=1S/C8H10N2O3/c11-8(12)6-1-2-10-3-4-13-5-7(10)9-6/h1H,2-5H2,(H,11,12)
InChIKeyWZOYHCGUBOLGKA-UHFFFAOYSA-N
XLogP-0.30
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid (CID 91313591) is 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is O=C(O)C1=CCN2CCOCC2=N1.
What is the InChIKey of 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
The InChIKey is WZOYHCGUBOLGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-8(12)6-1-2-10-3-4-13-5-7(10)9-6/h1H,2-5H2,(H,11,12).
What are the key properties of 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid?
4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 91313591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).