5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C8H9N3OS — CID 82505417

IUPAC5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2scc(CN)c2c(=O)[nH]1
InChIInChI=1S/C8H9N3OS/c1-4-10-7(12)6-5(2-9)3-13-8(6)11-4/h3H,2,9H2,1H3,(H,10,11,12)
InChIKeyBXFFTODUGLCPCO-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.75
Rot. Bonds1

About 5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one

5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 82505417) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID82505417
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2scc(CN)c2c(=O)[nH]1
InChIInChI=1S/C8H9N3OS/c1-4-10-7(12)6-5(2-9)3-13-8(6)11-4/h3H,2,9H2,1H3,(H,10,11,12)
InChIKeyBXFFTODUGLCPCO-UHFFFAOYSA-N
XLogP0.75
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(hydroxymethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 58103676
5-(2-chlorophenyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47007159
ethyl 2-[2-(1-ethoxyethenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl]acetate
CID 70299653
5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47007200
5-(2-methylpropyl)-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47297455
2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110167649
2-ethylsulfanyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 156597537
ethyl 5-[(4-fluorophenyl)methoxymethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 59652216
2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055587
ethyl 2-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxylate
CID 82338161
ethyl 5-[[benzyl(methyl)amino]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 59652342
ethyl 5-[[4-(2-ethoxy-2-oxoethyl)phenoxy]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 69248418

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 82505417) is 5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1nc2scc(CN)c2c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is BXFFTODUGLCPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-4-10-7(12)6-5(2-9)3-13-8(6)11-4/h3H,2,9H2,1H3,(H,10,11,12).
What are the key properties of 5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 195.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 82505417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).