2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one

C7H8N2O2S — CID 110272909

IUPAC2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one
SMILESO=C1C=C(O)SC2=NCCCN12
InChIInChI=1S/C7H8N2O2S/c10-5-4-6(11)12-7-8-2-1-3-9(5)7/h4,11H,1-3H2
InChIKeyKSBNDWLJYWGRAT-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.72
Rot. Bonds

About 2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one

2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one (PubChem CID 110272909) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one
PubChem CID110272909
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one
SMILESO=C1C=C(O)SC2=NCCCN12
InChIInChI=1S/C7H8N2O2S/c10-5-4-6(11)12-7-8-2-1-3-9(5)7/h4,11H,1-3H2
InChIKeyKSBNDWLJYWGRAT-UHFFFAOYSA-N
XLogP0.72
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one?
The IUPAC name of 2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one (CID 110272909) is 2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one.
What is the SMILES notation for 2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one?
The canonical SMILES for 2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one is O=C1C=C(O)SC2=NCCCN12.
What is the InChIKey of 2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one?
The InChIKey is KSBNDWLJYWGRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c10-5-4-6(11)12-7-8-2-1-3-9(5)7/h4,11H,1-3H2.
What are the key properties of 2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one?
2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one has a molecular weight of 184.22 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazin-4-one is sourced from PubChem (CID 110272909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).