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

C24H24N2O4S — CID 4690579

IUPACethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
SMILESCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-3-29-23(28)21-16(2)25-24-26(20(27)13-14-31-24)22(21)18-9-11-19(12-10-18)30-15-17-7-5-4-6-8-17/h4-12,22H,3,13-15H2,1-2H3
InChIKeyUZOPOIWMKKIABA-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.48
Rot. Bonds6

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

ethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate (PubChem CID 4690579) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is ethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
PubChem CID4690579
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Nameethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
SMILESCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-3-29-23(28)21-16(2)25-24-26(20(27)13-14-31-24)22(21)18-9-11-19(12-10-18)30-15-17-7-5-4-6-8-17/h4-12,22H,3,13-15H2,1-2H3
InChIKeyUZOPOIWMKKIABA-UHFFFAOYSA-N
XLogP4.48
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The IUPAC name of ethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate (CID 4690579) is ethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.
What is the SMILES notation for ethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The canonical SMILES for ethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The InChIKey is UZOPOIWMKKIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-3-29-23(28)21-16(2)25-24-26(20(27)13-14-31-24)22(21)18-9-11-19(12-10-18)30-15-17-7-5-4-6-8-17/h4-12,22H,3,13-15H2,1-2H3.
What are the key properties of ethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
ethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate has a molecular weight of 436.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-4-oxo-6-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is sourced from PubChem (CID 4690579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).