7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid

C9H10N2O3S — CID 86820371

IUPAC7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid
SMILESCc1cnc2n(c1=O)CC(C(=O)O)CS2
InChIInChI=1S/C9H10N2O3S/c1-5-2-10-9-11(7(5)12)3-6(4-15-9)8(13)14/h2,6H,3-4H2,1H3,(H,13,14)
InChIKeyWHOJYVIFOGFHPK-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.36
Rot. Bonds1

About 7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid

7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid (PubChem CID 86820371) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid
PubChem CID86820371
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid
SMILESCc1cnc2n(c1=O)CC(C(=O)O)CS2
InChIInChI=1S/C9H10N2O3S/c1-5-2-10-9-11(7(5)12)3-6(4-15-9)8(13)14/h2,6H,3-4H2,1H3,(H,13,14)
InChIKeyWHOJYVIFOGFHPK-UHFFFAOYSA-N
XLogP0.36
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid?
The IUPAC name of 7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid (CID 86820371) is 7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid.
What is the SMILES notation for 7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid?
The canonical SMILES for 7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid is Cc1cnc2n(c1=O)CC(C(=O)O)CS2.
What is the InChIKey of 7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid?
The InChIKey is WHOJYVIFOGFHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-5-2-10-9-11(7(5)12)3-6(4-15-9)8(13)14/h2,6H,3-4H2,1H3,(H,13,14).
What are the key properties of 7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid?
7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxylic acid is sourced from PubChem (CID 86820371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).