7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C21H19FN4O4S2 — CID 135420532

IUPAC7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C(c2ccccc2F)c2c(O)nc3n(c2=O)CCCS3)c(O)nc2n1CCCS2
InChIInChI=1S/C21H19FN4O4S2/c22-12-6-2-1-5-11(12)13(14-16(27)23-20-25(18(14)29)7-3-9-31-20)15-17(28)24-21-26(19(15)30)8-4-10-32-21/h1-2,5-6,13,27-28H,3-4,7-10H2
InChIKeyBUJYHPKMTMHTOY-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.52
Rot. Bonds3

About 7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135420532) has the molecular formula C21H19FN4O4S2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135420532
Molecular FormulaC21H19FN4O4S2
Molecular Weight474.54 g/mol
Exact Mass474.08
IUPAC Name7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C(c2ccccc2F)c2c(O)nc3n(c2=O)CCCS3)c(O)nc2n1CCCS2
InChIInChI=1S/C21H19FN4O4S2/c22-12-6-2-1-5-11(12)13(14-16(27)23-20-25(18(14)29)7-3-9-31-20)15-17(28)24-21-26(19(15)30)8-4-10-32-21/h1-2,5-6,13,27-28H,3-4,7-10H2
InChIKeyBUJYHPKMTMHTOY-UHFFFAOYSA-N
XLogP2.52
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135420532) is 7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(C(c2ccccc2F)c2c(O)nc3n(c2=O)CCCS3)c(O)nc2n1CCCS2.
What is the InChIKey of 7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is BUJYHPKMTMHTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4S2/c22-12-6-2-1-5-11(12)13(14-16(27)23-20-25(18(14)29)7-3-9-31-20)15-17(28)24-21-26(19(15)30)8-4-10-32-21/h1-2,5-6,13,27-28H,3-4,7-10H2.
What are the key properties of 7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 474.54 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)-(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135420532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).