2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one

C9H11N3OS — CID 44726072

IUPAC2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(N)n(C)c(=O)c2c1C
InChIInChI=1S/C9H11N3OS/c1-4-5(2)14-7-6(4)8(13)12(3)9(10)11-7/h1-3H3,(H2,10,11)
InChIKeyRJXWRVGUSVBDNF-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.19
Rot. Bonds

About 2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one

2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 44726072) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID44726072
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(N)n(C)c(=O)c2c1C
InChIInChI=1S/C9H11N3OS/c1-4-5(2)14-7-6(4)8(13)12(3)9(10)11-7/h1-3H3,(H2,10,11)
InChIKeyRJXWRVGUSVBDNF-UHFFFAOYSA-N
XLogP1.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 6955930
3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 23411257
4-amino-1,5,6-trimethylthieno[2,3-d]pyrimidin-2-one
CID 25152412
3,5,6-trimethyl-2-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 937061
3,5,6-trimethyl-2-(2-oxocycloheptyl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 43055098
4,5,12-trimethyl-6-thia-1,8,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
CID 101122728
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 37058954
3,5,6-trimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 133416043
3-ethyl-2-ethylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 84602918
5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 142673136
2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanyl-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 55309369

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one (CID 44726072) is 2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(N)n(C)c(=O)c2c1C.
What is the InChIKey of 2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is RJXWRVGUSVBDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-4-5(2)14-7-6(4)8(13)12(3)9(10)11-7/h1-3H3,(H2,10,11).
What are the key properties of 2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one?
2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 209.27 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 44726072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).