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

C13H20N2O2S — CID 135420493

IUPAC7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCCc1c(O)nc2n(c1=O)CCCS2
InChIInChI=1S/C13H20N2O2S/c1-2-3-4-5-7-10-11(16)14-13-15(12(10)17)8-6-9-18-13/h16H,2-9H2,1H3
InChIKeyYGOXQPFKRHLWOS-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.57
Rot. Bonds5

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

7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135420493) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135420493
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCCc1c(O)nc2n(c1=O)CCCS2
InChIInChI=1S/C13H20N2O2S/c1-2-3-4-5-7-10-11(16)14-13-15(12(10)17)8-6-9-18-13/h16H,2-9H2,1H3
InChIKeyYGOXQPFKRHLWOS-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135420493) is 7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCCCCCc1c(O)nc2n(c1=O)CCCS2.
What is the InChIKey of 7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is YGOXQPFKRHLWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-3-4-5-7-10-11(16)14-13-15(12(10)17)8-6-9-18-13/h16H,2-9H2,1H3.
What are the key properties of 7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 268.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135420493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).