2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

C13H11N3OS — CID 82055587

IUPAC2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(N)[nH]c(=O)c23)cc1
InChIInChI=1S/C13H11N3OS/c1-7-2-4-8(5-3-7)9-6-18-12-10(9)11(17)15-13(14)16-12/h2-6H,1H3,(H3,14,15,16,17)
InChIKeyVMYPZURQSGVDAO-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.54
Rot. Bonds1

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

2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 82055587) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID82055587
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(N)[nH]c(=O)c23)cc1
InChIInChI=1S/C13H11N3OS/c1-7-2-4-8(5-3-7)9-6-18-12-10(9)11(17)15-13(14)16-12/h2-6H,1H3,(H3,14,15,16,17)
InChIKeyVMYPZURQSGVDAO-UHFFFAOYSA-N
XLogP2.54
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 82055587) is 2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc(N)[nH]c(=O)c23)cc1.
What is the InChIKey of 2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is VMYPZURQSGVDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-7-2-4-8(5-3-7)9-6-18-12-10(9)11(17)15-13(14)16-12/h2-6H,1H3,(H3,14,15,16,17).
What are the key properties of 2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 257.32 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 82055587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).