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

C11H16N2O2S — CID 135481903

IUPAC7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCc1c(O)nc2n(c1=O)CCCS2
InChIInChI=1S/C11H16N2O2S/c1-2-3-5-8-9(14)12-11-13(10(8)15)6-4-7-16-11/h14H,2-7H2,1H3
InChIKeyHDYCOJSISWJZIT-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.79
Rot. Bonds3

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

7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135481903) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135481903
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCc1c(O)nc2n(c1=O)CCCS2
InChIInChI=1S/C11H16N2O2S/c1-2-3-5-8-9(14)12-11-13(10(8)15)6-4-7-16-11/h14H,2-7H2,1H3
InChIKeyHDYCOJSISWJZIT-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135481903) is 7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCCCc1c(O)nc2n(c1=O)CCCS2.
What is the InChIKey of 7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is HDYCOJSISWJZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-3-5-8-9(14)12-11-13(10(8)15)6-4-7-16-11/h14H,2-7H2,1H3.
What are the key properties of 7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 240.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135481903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).