methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate

C9H9N3O4S — CID 12934946

IUPACmethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(=O)n(C)c(=O)n(C)c2s1
InChIInChI=1S/C9H9N3O4S/c1-11-6(13)4-7(12(2)9(11)15)17-5(10-4)8(14)16-3/h1-3H3
InChIKeyZKMCCEJQMQQKKE-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.52
Rot. Bonds1

About methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate

methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate (PubChem CID 12934946) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate
PubChem CID12934946
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Namemethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(=O)n(C)c(=O)n(C)c2s1
InChIInChI=1S/C9H9N3O4S/c1-11-6(13)4-7(12(2)9(11)15)17-5(10-4)8(14)16-3/h1-3H3
InChIKeyZKMCCEJQMQQKKE-UHFFFAOYSA-N
XLogP-0.52
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate with MolForge

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Related Compounds

Ethyl (4-ethyl-2-(methylthio)-7-oxo-5-thioxo-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate
CID 383358
2,6-dimethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
CID 67557930
tert-Butyl 2-(5,7-dioxo-4,5-dihydrothiazolo[5,4-d]pyrimidin-6(7H)-yl)acetate
CID 118998093
tert-Butyl 2-(2-bromo-5,7-dioxo-4,5-dihydrothiazolo[5,4-d]pyrimidin-6(7H)-yl)acetate
CID 118998095
tert-butyl 2-(2-methyl-5,7-dioxo-4H-[1,3]thiazolo[5,4-d]pyrimidin-6-yl)acetate
CID 123613914
6-(2-methoxyethyl)-2-methylsulfanyl-5-sulfanylidene-4H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 124153800
2,4-Dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
CID 163626605
6-Ethyl-4-methyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
CID 170443471
Methyl 4,6-dimethyl-1-oxido-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidin-1-ium-2-carboxylate
CID 12934942
Ethyl 4,6-dimethyl-1-oxido-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidin-1-ium-2-carboxylate
CID 12934943
Ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate
CID 12934947
4,6-Dimethyl-1-oxido-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidin-1-ium-2-carboxamide
CID 12934952

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate (CID 12934946) is methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate is COC(=O)c1nc2c(=O)n(C)c(=O)n(C)c2s1.
What is the InChIKey of methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate?
The InChIKey is ZKMCCEJQMQQKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c1-11-6(13)4-7(12(2)9(11)15)17-5(10-4)8(14)16-3/h1-3H3.
What are the key properties of methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate?
methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate has a molecular weight of 255.25 g/mol, XLogP of -0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate is sourced from PubChem (CID 12934946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).