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

C13H19N3O2S — CID 90573002

IUPAC7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)N(C)C)CS2
InChIInChI=1S/C13H19N3O2S/c1-5-10-8(2)14-13-16(12(10)18)6-9(7-19-13)11(17)15(3)4/h9H,5-7H2,1-4H3
InChIKeyMRFHPZVFOKCLKS-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.92
Rot. Bonds2

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

7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573002) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573002
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)N(C)C)CS2
InChIInChI=1S/C13H19N3O2S/c1-5-10-8(2)14-13-16(12(10)18)6-9(7-19-13)11(17)15(3)4/h9H,5-7H2,1-4H3
InChIKeyMRFHPZVFOKCLKS-UHFFFAOYSA-N
XLogP0.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573002) is 7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)CC(C(=O)N(C)C)CS2.
What is the InChIKey of 7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is MRFHPZVFOKCLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-5-10-8(2)14-13-16(12(10)18)6-9(7-19-13)11(17)15(3)4/h9H,5-7H2,1-4H3.
What are the key properties of 7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-ethyl-N,N,8-trimethyl-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 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N,N,8-trimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).