N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C13H19N3O4S — CID 90572402

IUPACN-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOC(CNC(=O)C1CSc2ncc(C)c(=O)n2C1)OC
InChIInChI=1S/C13H19N3O4S/c1-8-4-15-13-16(12(8)18)6-9(7-21-13)11(17)14-5-10(19-2)20-3/h4,9-10H,5-7H2,1-3H3,(H,14,17)
InChIKeyFXSFYAODGFHNQX-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.01
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572402) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572402
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOC(CNC(=O)C1CSc2ncc(C)c(=O)n2C1)OC
InChIInChI=1S/C13H19N3O4S/c1-8-4-15-13-16(12(8)18)6-9(7-21-13)11(17)14-5-10(19-2)20-3/h4,9-10H,5-7H2,1-3H3,(H,14,17)
InChIKeyFXSFYAODGFHNQX-UHFFFAOYSA-N
XLogP0.01
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572402) is N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is COC(CNC(=O)C1CSc2ncc(C)c(=O)n2C1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is FXSFYAODGFHNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-8-4-15-13-16(12(8)18)6-9(7-21-13)11(17)14-5-10(19-2)20-3/h4,9-10H,5-7H2,1-3H3,(H,14,17).
What are the key properties of N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).