4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine

C13H11N3OS — CID 13141416

IUPAC4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine
SMILESCOc1ncnc2c1N=C(c1ccccc1)CS2
InChIInChI=1S/C13H11N3OS/c1-17-12-11-13(15-8-14-12)18-7-10(16-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyFKZDAMCOTFEZCL-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.71
Rot. Bonds2

About 4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine

4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine (PubChem CID 13141416) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine.

Molecular Properties

Compound Name4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine
PubChem CID13141416
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine
SMILESCOc1ncnc2c1N=C(c1ccccc1)CS2
InChIInChI=1S/C13H11N3OS/c1-17-12-11-13(15-8-14-12)18-7-10(16-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyFKZDAMCOTFEZCL-UHFFFAOYSA-N
XLogP2.71
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine?
The IUPAC name of 4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine (CID 13141416) is 4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine.
What is the SMILES notation for 4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine?
The canonical SMILES for 4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine is COc1ncnc2c1N=C(c1ccccc1)CS2.
What is the InChIKey of 4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine?
The InChIKey is FKZDAMCOTFEZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-17-12-11-13(15-8-14-12)18-7-10(16-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine?
4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine has a molecular weight of 257.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine is sourced from PubChem (CID 13141416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).