ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

C19H20N2O5S — CID 645378

IUPACethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
SMILESCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H20N2O5S/c1-4-26-18(24)15-11(2)20-19-21(14(22)9-10-27-19)16(15)12-5-7-13(8-6-12)17(23)25-3/h5-8,16H,4,9-10H2,1-3H3
InChIKeyWFKUDNISDGQPIO-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.69
Rot. Bonds4

About ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate (PubChem CID 645378) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
PubChem CID645378
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Nameethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
SMILESCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H20N2O5S/c1-4-26-18(24)15-11(2)20-19-21(14(22)9-10-27-19)16(15)12-5-7-13(8-6-12)17(23)25-3/h5-8,16H,4,9-10H2,1-3H3
InChIKeyWFKUDNISDGQPIO-UHFFFAOYSA-N
XLogP2.69
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate with MolForge

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Related Compounds

methyl 5-[4-(methoxycarbonyl)phenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 662064
benzyl 8-methyl-4-oxo-6-(2-phenylvinyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 6014068
Isopropyl 6-(4-ethylphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-B][1,3]thiazine-7-carboxylate
CID 3489993
2-methoxyethyl 6-[4-(methoxycarbonyl)phenyl]-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 651187
2-methoxyethyl 2-ethyl-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 661855
ethyl 5-[4-(methoxycarbonyl)phenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 662015
methyl 2-ethyl-5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 662041
methyl 6-[4-(methoxycarbonyl)phenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 2938926
7-ethyl 2-methyl 6-(4-fluorophenyl)-8-methyl-4-oxo-4H,6H-pyrimido[2,1-b][1,3]thiazine-2,7-dicarboxylate
CID 2981354
isobutyl 6-[4-(methoxycarbonyl)phenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 3239911
methyl 2-ethyl-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3243544
Methyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-[2-(morpholin-4-YL)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
CID 4195876

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The IUPAC name of ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate (CID 645378) is ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.
What is the SMILES notation for ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The canonical SMILES for ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(C(=O)OC)cc1.
What is the InChIKey of ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The InChIKey is WFKUDNISDGQPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-4-26-18(24)15-11(2)20-19-21(14(22)9-10-27-19)16(15)12-5-7-13(8-6-12)17(23)25-3/h5-8,16H,4,9-10H2,1-3H3.
What are the key properties of ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate has a molecular weight of 388.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is sourced from PubChem (CID 645378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).