7-[(2,4-dichlorophenyl)-(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

C21H18Cl2N4O4S2 — CID 135484699

IUPAC7-[(2,4-dichlorophenyl)-(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(c2ccc(Cl)cc2Cl)c2c(O)nc3n(c2=O)CCCS3)c(O)nc2n1CCCS2
InChIInChI=1S/C21H18Cl2N4O4S2/c22-10-3-4-11(12(23)9-10)13(14-16(28)24-20-26(18(14)30)5-1-7-32-20)15-17(29)25-21-27(19(15)31)6-2-8-33-21/h3-4,9,13,28-29H,1-2,5-8H2
InChIKeyZKIRKTJSOLTYAO-UHFFFAOYSA-N
MW525.44 g/mol
LogP3.69
Rot. Bonds3

About 7-[(2,4-dichlorophenyl)-(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-[(2,4-dichlorophenyl)-(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 135484699) has the molecular formula C21H18Cl2N4O4S2 and a molecular weight of 525.44 g/mol. Its IUPAC name is 7-[(2,4-dichlorophenyl)-(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-[(2,4-dichlorophenyl)-(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 CID135484699
Molecular FormulaC21H18Cl2N4O4S2
Molecular Weight525.44 g/mol
Exact Mass524.01
IUPAC Name7-[(2,4-dichlorophenyl)-(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(c2ccc(Cl)cc2Cl)c2c(O)nc3n(c2=O)CCCS3)c(O)nc2n1CCCS2
InChIInChI=1S/C21H18Cl2N4O4S2/c22-10-3-4-11(12(23)9-10)13(14-16(28)24-20-26(18(14)30)5-1-7-32-20)15-17(29)25-21-27(19(15)31)6-2-8-33-21/h3-4,9,13,28-29H,1-2,5-8H2
InChIKeyZKIRKTJSOLTYAO-UHFFFAOYSA-N
XLogP3.69
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-[(2,4-dichlorophenyl)-(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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Related Compounds

7-[(4-chlorophenyl)(8-hydroxy-6-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 135406221
7,7'-((4-fluorophenyl)methylene)bis(8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one)
CID 135450330
7,7'-(phenylmethylene)bis(8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one)
CID 135427821
6,6'-((4-chlorophenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135533982
7,7'-((2-fluorophenyl)methylene)bis(8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one)
CID 135420532
7-phenyl-3,4,11,12-tetrahydro-2H,6H,7H,8H,10H-[1,3]thiazino[3''',2''':1'',2'']pyrimido[5'',4'':5',6']pyrano[2',3':4,5]pyrimido[2,1-b][1,3]thiazine-6,8-dione (non-preferred name)
CID 3733316
6,6'-((2-chlorophenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135399270
5,5'-[(4-chlorophenyl)methylene]bis[6-hydroxy-3-methyl-2-(methylthio)-4(3H)-pyrimidinone]
CID 135431916
6,6'-((2,4-dichlorophenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135481571
7,7'-((2-chlorophenyl)methylene)bis(8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one)
CID 135492047
7-[(2,4-Dichlorophenyl)methyl]-8-hydroxy-2H,3H,4H,6H-pyrimido[2,1-B][1,3]thiazin-6-one
CID 135680906
8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-7-yl)(4-methylphenyl)methyl]-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 136187158

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dichlorophenyl)-(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-[(2,4-dichlorophenyl)-(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 135484699) is 7-[(2,4-dichlorophenyl)-(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-[(2,4-dichlorophenyl)-(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-[(2,4-dichlorophenyl)-(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(c2ccc(Cl)cc2Cl)c2c(O)nc3n(c2=O)CCCS3)c(O)nc2n1CCCS2.
What is the InChIKey of 7-[(2,4-dichlorophenyl)-(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 ZKIRKTJSOLTYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O4S2/c22-10-3-4-11(12(23)9-10)13(14-16(28)24-20-26(18(14)30)5-1-7-32-20)15-17(29)25-21-27(19(15)31)6-2-8-33-21/h3-4,9,13,28-29H,1-2,5-8H2.
What are the key properties of 7-[(2,4-dichlorophenyl)-(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-[(2,4-dichlorophenyl)-(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 525.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dichlorophenyl)-(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 135484699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).