8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C14H21N3O3S — CID 90572983

IUPAC8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCON(C)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)10-6-11(18)17-7-9(8-21-13(17)15-10)12(19)16(4)20-5/h6,9H,7-8H2,1-5H3
InChIKeyXVVJIAHTWNZMFK-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.28
Rot. Bonds2

About 8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572983) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572983
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCON(C)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)10-6-11(18)17-7-9(8-21-13(17)15-10)12(19)16(4)20-5/h6,9H,7-8H2,1-5H3
InChIKeyXVVJIAHTWNZMFK-UHFFFAOYSA-N
XLogP1.28
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.28
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 8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572983) is 8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CON(C)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1.
What is the InChIKey of 8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is XVVJIAHTWNZMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(2,3)10-6-11(18)17-7-9(8-21-13(17)15-10)12(19)16(4)20-5/h6,9H,7-8H2,1-5H3.
What are the key properties of 8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-methoxy-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).