8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one

C8H9N3O3S — CID 21300105

IUPAC8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one
SMILESCC1(C)c2ncncc2C(=O)NS1(=O)=O
InChIInChI=1S/C8H9N3O3S/c1-8(2)6-5(3-9-4-10-6)7(12)11-15(8,13)14/h3-4H,1-2H3,(H,11,12)
InChIKeyRVACOQDOFUDOEO-UHFFFAOYSA-N
MW227.25 g/mol
LogP-0.22
Rot. Bonds

About 8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one

8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one (PubChem CID 21300105) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is 8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one.

Molecular Properties

Compound Name8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one
PubChem CID21300105
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC Name8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one
SMILESCC1(C)c2ncncc2C(=O)NS1(=O)=O
InChIInChI=1S/C8H9N3O3S/c1-8(2)6-5(3-9-4-10-6)7(12)11-15(8,13)14/h3-4H,1-2H3,(H,11,12)
InChIKeyRVACOQDOFUDOEO-UHFFFAOYSA-N
XLogP-0.22
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one
CID 21300280
pyrazolo[3,4-d]pyrimidin-3-one
CID 66667981
3,5,11,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-one
CID 142739996
pyrimido[4,5-g]quinazoline-5,10-dione
CID 151510286
7,7-dimethyl-5,6-dihydropyrrolo[3,4-d]pyrimidine;dihydrochloride
CID 71743448
2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one
CID 175727554
5,7,7,9-tetramethylpyrimido[4,5-b][1,4]diazepine-6,8-dione
CID 10331588
3-(5-fluoropyrimidin-4-yl)-3-methyl-6-pyrazolidin-4-yl-2H-isoindol-1-one
CID 167995012
(7S)-7-methyl-7,8-dihydro-5H-pteridin-6-one
CID 67777070
23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
CID 121450175
7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one
CID 82417594
5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine
CID 21300207

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one?
The IUPAC name of 8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one (CID 21300105) is 8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one.
What is the SMILES notation for 8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one?
The canonical SMILES for 8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one is CC1(C)c2ncncc2C(=O)NS1(=O)=O.
What is the InChIKey of 8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one?
The InChIKey is RVACOQDOFUDOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c1-8(2)6-5(3-9-4-10-6)7(12)11-15(8,13)14/h3-4H,1-2H3,(H,11,12).
What are the key properties of 8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one?
8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one has a molecular weight of 227.25 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one is sourced from PubChem (CID 21300105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).