4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

C11H11N5S2 — CID 114001337

IUPAC4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2ncc[nH]2)c2cc(C)sc2n1
InChIInChI=1S/C11H11N5S2/c1-6-5-7-8(17-6)15-10(12-2)16-9(7)18-11-13-3-4-14-11/h3-5H,1-2H3,(H,13,14)(H,12,15,16)
InChIKeyAWHDDXAZTAOWAK-UHFFFAOYSA-N
MW277.38 g/mol
LogP2.92
Rot. Bonds3

About 4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 114001337) has the molecular formula C11H11N5S2 and a molecular weight of 277.38 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID114001337
Molecular FormulaC11H11N5S2
Molecular Weight277.38 g/mol
Exact Mass277.05
IUPAC Name4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2ncc[nH]2)c2cc(C)sc2n1
InChIInChI=1S/C11H11N5S2/c1-6-5-7-8(17-6)15-10(12-2)16-9(7)18-11-13-3-4-14-11/h3-5H,1-2H3,(H,13,14)(H,12,15,16)
InChIKeyAWHDDXAZTAOWAK-UHFFFAOYSA-N
XLogP2.92
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 114001337) is 4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Sc2ncc[nH]2)c2cc(C)sc2n1.
What is the InChIKey of 4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is AWHDDXAZTAOWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S2/c1-6-5-7-8(17-6)15-10(12-2)16-9(7)18-11-13-3-4-14-11/h3-5H,1-2H3,(H,13,14)(H,12,15,16).
What are the key properties of 4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 277.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 114001337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).