2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one

C10H7N3OS2 — CID 78145825

IUPAC2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one
SMILESNC1=NC(=O)C2C(c3cccs3)=CSC2=N1
InChIInChI=1S/C10H7N3OS2/c11-10-12-8(14)7-5(4-16-9(7)13-10)6-2-1-3-15-6/h1-4,7H,(H2,11,12,14)
InChIKeyAKYGZYULYOMNFI-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.71
Rot. Bonds1

About 2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one

2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one (PubChem CID 78145825) has the molecular formula C10H7N3OS2 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one
PubChem CID78145825
Molecular FormulaC10H7N3OS2
Molecular Weight249.32 g/mol
Exact Mass249.00
IUPAC Name2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one
SMILESNC1=NC(=O)C2C(c3cccs3)=CSC2=N1
InChIInChI=1S/C10H7N3OS2/c11-10-12-8(14)7-5(4-16-9(7)13-10)6-2-1-3-15-6/h1-4,7H,(H2,11,12,14)
InChIKeyAKYGZYULYOMNFI-UHFFFAOYSA-N
XLogP1.71
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one (CID 78145825) is 2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one is NC1=NC(=O)C2C(c3cccs3)=CSC2=N1.
What is the InChIKey of 2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is AKYGZYULYOMNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS2/c11-10-12-8(14)7-5(4-16-9(7)13-10)6-2-1-3-15-6/h1-4,7H,(H2,11,12,14).
What are the key properties of 2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one?
2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 249.32 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 78145825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).