2-amino-3H-thieno[3,2-d]pyrimidin-4-one

C6H5N3OS — CID 135414346

IUPAC2-amino-3H-thieno[3,2-d]pyrimidin-4-one
SMILESNc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C6H5N3OS/c7-6-8-3-1-2-11-4(3)5(10)9-6/h1-2H,(H3,7,8,9,10)
InChIKeyJWPXRGTYKVODRC-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.57
Rot. Bonds

About 2-amino-3H-thieno[3,2-d]pyrimidin-4-one

2-amino-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135414346) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-amino-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135414346
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name2-amino-3H-thieno[3,2-d]pyrimidin-4-one
SMILESNc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C6H5N3OS/c7-6-8-3-1-2-11-4(3)5(10)9-6/h1-2H,(H3,7,8,9,10)
InChIKeyJWPXRGTYKVODRC-UHFFFAOYSA-N
XLogP0.57
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-3H-thieno[3,2-d]pyrimidin-4-one (CID 135414346) is 2-amino-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3H-thieno[3,2-d]pyrimidin-4-one is Nc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-amino-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JWPXRGTYKVODRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c7-6-8-3-1-2-11-4(3)5(10)9-6/h1-2H,(H3,7,8,9,10).
What are the key properties of 2-amino-3H-thieno[3,2-d]pyrimidin-4-one?
2-amino-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 167.19 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135414346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).