4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine

C7H7N3O2S2 — CID 130542974

IUPAC4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine
SMILESCS(=O)(=O)c1ncnc2sc(N)cc12
InChIInChI=1S/C7H7N3O2S2/c1-14(11,12)7-4-2-5(8)13-6(4)9-3-10-7/h2-3H,8H2,1H3
InChIKeyKUFRWRKWZNTPNP-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.68
Rot. Bonds1

About 4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine

4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine (PubChem CID 130542974) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine
PubChem CID130542974
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC Name4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine
SMILESCS(=O)(=O)c1ncnc2sc(N)cc12
InChIInChI=1S/C7H7N3O2S2/c1-14(11,12)7-4-2-5(8)13-6(4)9-3-10-7/h2-3H,8H2,1H3
InChIKeyKUFRWRKWZNTPNP-UHFFFAOYSA-N
XLogP0.68
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine?
The IUPAC name of 4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine (CID 130542974) is 4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine.
What is the SMILES notation for 4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine?
The canonical SMILES for 4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine is CS(=O)(=O)c1ncnc2sc(N)cc12.
What is the InChIKey of 4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine?
The InChIKey is KUFRWRKWZNTPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c1-14(11,12)7-4-2-5(8)13-6(4)9-3-10-7/h2-3H,8H2,1H3.
What are the key properties of 4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine?
4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine has a molecular weight of 229.29 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylthieno[2,3-d]pyrimidin-6-amine is sourced from PubChem (CID 130542974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).