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

C15H16N4O2S — CID 71802285

IUPAC7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C15H16N4O2S/c1-9-4-3-5-16-12(9)18-13(20)11-7-19-14(21)10(2)6-17-15(19)22-8-11/h3-6,11H,7-8H2,1-2H3,(H,16,18,20)
InChIKeyOOGQREMLMYGIRS-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.62
Rot. Bonds2

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

7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 71802285) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID71802285
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C15H16N4O2S/c1-9-4-3-5-16-12(9)18-13(20)11-7-19-14(21)10(2)6-17-15(19)22-8-11/h3-6,11H,7-8H2,1-2H3,(H,16,18,20)
InChIKeyOOGQREMLMYGIRS-UHFFFAOYSA-N
XLogP1.62
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 71802285) is 7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cccnc1NC(=O)C1CSc2ncc(C)c(=O)n2C1.
What is the InChIKey of 7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is OOGQREMLMYGIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-4-3-5-16-12(9)18-13(20)11-7-19-14(21)10(2)6-17-15(19)22-8-11/h3-6,11H,7-8H2,1-2H3,(H,16,18,20).
What are the key properties of 7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 71802285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).