4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one

C8H9N3O2S — CID 25152005

IUPAC4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one
SMILESCOc1sc2nc(=O)[nH]c(N)c2c1C
InChIInChI=1S/C8H9N3O2S/c1-3-4-5(9)10-8(12)11-6(4)14-7(3)13-2/h1-2H3,(H3,9,10,11,12)
InChIKeyAZEKPYHWNGKFPB-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.88
Rot. Bonds1

About 4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one

4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one (PubChem CID 25152005) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one
PubChem CID25152005
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one
SMILESCOc1sc2nc(=O)[nH]c(N)c2c1C
InChIInChI=1S/C8H9N3O2S/c1-3-4-5(9)10-8(12)11-6(4)14-7(3)13-2/h1-2H3,(H3,9,10,11,12)
InChIKeyAZEKPYHWNGKFPB-UHFFFAOYSA-N
XLogP0.88
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-2-thione
CID 712738
6-amino-5-methoxy-1H-pyrimidin-2-one
CID 15422742
4-amino-5-(2-hydroxyethyl)-6-(hydroxymethyl)-3H-thieno[2,3-d]pyrimidin-2-one
CID 25152215
6-amino-8-methoxy-1,7-dihydropurin-2-one
CID 89175447
2-(4-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 1116711
4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one
CID 58429449
2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055580
5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 142673136
4-(4-amino-3-methoxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 82474736
5-amino-6-methyl-4-(methylamino)-1H-pyrimidin-2-one
CID 131028516
4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 94282421
(2-methoxyphenyl)methyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7625370

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one (CID 25152005) is 4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one is COc1sc2nc(=O)[nH]c(N)c2c1C.
What is the InChIKey of 4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one?
The InChIKey is AZEKPYHWNGKFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-3-4-5(9)10-8(12)11-6(4)14-7(3)13-2/h1-2H3,(H3,9,10,11,12).
What are the key properties of 4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one?
4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one has a molecular weight of 211.25 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methoxy-5-methyl-3H-thieno[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 25152005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).