(2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone

C12H9N3OS2 — CID 46882997

IUPAC(2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2nc(N)nc3ccsc23)s1
InChIInChI=1S/C12H9N3OS2/c1-6-2-3-8(18-6)10(16)9-11-7(4-5-17-11)14-12(13)15-9/h2-5H,1H3,(H2,13,14,15)
InChIKeyJRJLWTFAGRPOQJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.87
Rot. Bonds2

About (2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone

(2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 46882997) has the molecular formula C12H9N3OS2 and a molecular weight of 275.36 g/mol. Its IUPAC name is (2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID46882997
Molecular FormulaC12H9N3OS2
Molecular Weight275.36 g/mol
Exact Mass275.02
IUPAC Name(2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2nc(N)nc3ccsc23)s1
InChIInChI=1S/C12H9N3OS2/c1-6-2-3-8(18-6)10(16)9-11-7(4-5-17-11)14-12(13)15-9/h2-5H,1H3,(H2,13,14,15)
InChIKeyJRJLWTFAGRPOQJ-UHFFFAOYSA-N
XLogP2.87
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone (CID 46882997) is (2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2nc(N)nc3ccsc23)s1.
What is the InChIKey of (2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is JRJLWTFAGRPOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS2/c1-6-2-3-8(18-6)10(16)9-11-7(4-5-17-11)14-12(13)15-9/h2-5H,1H3,(H2,13,14,15).
What are the key properties of (2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone?
(2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 275.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminothieno[3,2-d]pyrimidin-4-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 46882997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).