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

C10H9N5S2 — CID 114001333

IUPAC4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2ncc[nH]2)c2ccsc2n1
InChIInChI=1S/C10H9N5S2/c1-11-9-14-7-6(2-5-16-7)8(15-9)17-10-12-3-4-13-10/h2-5H,1H3,(H,12,13)(H,11,14,15)
InChIKeyKLWOSFLZAZONCK-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.61
Rot. Bonds3

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

4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 114001333) has the molecular formula C10H9N5S2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID114001333
Molecular FormulaC10H9N5S2
Molecular Weight263.35 g/mol
Exact Mass263.03
IUPAC Name4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2ncc[nH]2)c2ccsc2n1
InChIInChI=1S/C10H9N5S2/c1-11-9-14-7-6(2-5-16-7)8(15-9)17-10-12-3-4-13-10/h2-5H,1H3,(H,12,13)(H,11,14,15)
InChIKeyKLWOSFLZAZONCK-UHFFFAOYSA-N
XLogP2.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.61
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-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 114001333) is 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Sc2ncc[nH]2)c2ccsc2n1.
What is the InChIKey of 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is KLWOSFLZAZONCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S2/c1-11-9-14-7-6(2-5-16-7)8(15-9)17-10-12-3-4-13-10/h2-5H,1H3,(H,12,13)(H,11,14,15).
What are the key properties of 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 263.35 g/mol, XLogP of 2.61, 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-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 114001333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).