4-amino-1H-thieno[3,4-d]pyrimidin-2-one

C6H5N3OS — CID 11571854

IUPAC4-amino-1H-thieno[3,4-d]pyrimidin-2-one
SMILESNc1nc(=O)[nH]c2cscc12
InChIInChI=1S/C6H5N3OS/c7-5-3-1-11-2-4(3)8-6(10)9-5/h1-2H,(H3,7,8,9,10)
InChIKeyKVQDHSGLTFDKAK-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.57
Rot. Bonds

About 4-amino-1H-thieno[3,4-d]pyrimidin-2-one

4-amino-1H-thieno[3,4-d]pyrimidin-2-one (PubChem CID 11571854) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 4-amino-1H-thieno[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1H-thieno[3,4-d]pyrimidin-2-one
PubChem CID11571854
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name4-amino-1H-thieno[3,4-d]pyrimidin-2-one
SMILESNc1nc(=O)[nH]c2cscc12
InChIInChI=1S/C6H5N3OS/c7-5-3-1-11-2-4(3)8-6(10)9-5/h1-2H,(H3,7,8,9,10)
InChIKeyKVQDHSGLTFDKAK-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 4-amino-1H-thieno[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-amino-1H-thieno[3,4-d]pyrimidin-2-one (CID 11571854) is 4-amino-1H-thieno[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1H-thieno[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-1H-thieno[3,4-d]pyrimidin-2-one is Nc1nc(=O)[nH]c2cscc12.
What is the InChIKey of 4-amino-1H-thieno[3,4-d]pyrimidin-2-one?
The InChIKey is KVQDHSGLTFDKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c7-5-3-1-11-2-4(3)8-6(10)9-5/h1-2H,(H3,7,8,9,10).
What are the key properties of 4-amino-1H-thieno[3,4-d]pyrimidin-2-one?
4-amino-1H-thieno[3,4-d]pyrimidin-2-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 4-amino-1H-thieno[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 11571854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).