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

C10H14N2O2S — CID 135579527

IUPAC8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCC(C)c1c(O)nc2n(c1=O)CCCS2
InChIInChI=1S/C10H14N2O2S/c1-6(2)7-8(13)11-10-12(9(7)14)4-3-5-15-10/h6,13H,3-5H2,1-2H3
InChIKeyLOBIJOACXURRLP-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.57
Rot. Bonds1

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

8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135579527) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135579527
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCC(C)c1c(O)nc2n(c1=O)CCCS2
InChIInChI=1S/C10H14N2O2S/c1-6(2)7-8(13)11-10-12(9(7)14)4-3-5-15-10/h6,13H,3-5H2,1-2H3
InChIKeyLOBIJOACXURRLP-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135579527) is 8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CC(C)c1c(O)nc2n(c1=O)CCCS2.
What is the InChIKey of 8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is LOBIJOACXURRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6(2)7-8(13)11-10-12(9(7)14)4-3-5-15-10/h6,13H,3-5H2,1-2H3.
What are the key properties of 8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 226.30 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135579527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).