N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C11H15N3O3S — CID 90572631

IUPACN-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCON(C)C(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C11H15N3O3S/c1-7-4-12-11-14(9(7)15)5-8(6-18-11)10(16)13(2)17-3/h4,8H,5-6H2,1-3H3
InChIKeyBSXWNRGHPHXKQB-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.29
Rot. Bonds2

About N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572631) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572631
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCON(C)C(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C11H15N3O3S/c1-7-4-12-11-14(9(7)15)5-8(6-18-11)10(16)13(2)17-3/h4,8H,5-6H2,1-3H3
InChIKeyBSXWNRGHPHXKQB-UHFFFAOYSA-N
XLogP0.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572631) is N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CON(C)C(=O)C1CSc2ncc(C)c(=O)n2C1.
What is the InChIKey of N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is BSXWNRGHPHXKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7-4-12-11-14(9(7)15)5-8(6-18-11)10(16)13(2)17-3/h4,8H,5-6H2,1-3H3.
What are the key properties of N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).