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

C9H11N3OS — CID 82055580

IUPAC2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2nc(N)[nH]c(=O)c12
InChIInChI=1S/C9H11N3OS/c1-3-5-4(2)14-8-6(5)7(13)11-9(10)12-8/h3H2,1-2H3,(H3,10,11,12,13)
InChIKeyRXYSKJCWBCJXFY-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.44
Rot. Bonds1

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

2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 82055580) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID82055580
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2nc(N)[nH]c(=O)c12
InChIInChI=1S/C9H11N3OS/c1-3-5-4(2)14-8-6(5)7(13)11-9(10)12-8/h3H2,1-2H3,(H3,10,11,12,13)
InChIKeyRXYSKJCWBCJXFY-UHFFFAOYSA-N
XLogP1.44
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47069385
5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141897
2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 137429295
5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 60527927
5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 82097101
5-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47019423
ethyl 5-benzyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 59298640
2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055604
5-ethyl-6-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 7409200
5,6-diethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylic acid
CID 143679465
2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055587
2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136728596

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 82055580) is 2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1c(C)sc2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RXYSKJCWBCJXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-3-5-4(2)14-8-6(5)7(13)11-9(10)12-8/h3H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 209.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 82055580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).