N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C13H19N3O2S — CID 90573057

IUPACN,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCNC(=O)C1CSc2nc(C)c(CC)c(=O)n2C1
InChIInChI=1S/C13H19N3O2S/c1-4-10-8(3)15-13-16(12(10)18)6-9(7-19-13)11(17)14-5-2/h9H,4-7H2,1-3H3,(H,14,17)
InChIKeyJUJAIQIBUYCGHR-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.97
Rot. Bonds3

About N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573057) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573057
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCNC(=O)C1CSc2nc(C)c(CC)c(=O)n2C1
InChIInChI=1S/C13H19N3O2S/c1-4-10-8(3)15-13-16(12(10)18)6-9(7-19-13)11(17)14-5-2/h9H,4-7H2,1-3H3,(H,14,17)
InChIKeyJUJAIQIBUYCGHR-UHFFFAOYSA-N
XLogP0.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573057) is N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCNC(=O)C1CSc2nc(C)c(CC)c(=O)n2C1.
What is the InChIKey of N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is JUJAIQIBUYCGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-10-8(3)15-13-16(12(10)18)6-9(7-19-13)11(17)14-5-2/h9H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-diethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).