4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine

C12H9N3S4 — CID 3849147

IUPAC4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine
SMILESNc1nc(Sc2cccs2)cc(Sc2cccs2)n1
InChIInChI=1S/C12H9N3S4/c13-12-14-8(18-10-3-1-5-16-10)7-9(15-12)19-11-4-2-6-17-11/h1-7H,(H2,13,14,15)
InChIKeyGFHYCNVWVVESLL-UHFFFAOYSA-N
MW323.49 g/mol
LogP4.48
Rot. Bonds4

About 4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine

4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine (PubChem CID 3849147) has the molecular formula C12H9N3S4 and a molecular weight of 323.49 g/mol. Its IUPAC name is 4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine
PubChem CID3849147
Molecular FormulaC12H9N3S4
Molecular Weight323.49 g/mol
Exact Mass322.97
IUPAC Name4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine
SMILESNc1nc(Sc2cccs2)cc(Sc2cccs2)n1
InChIInChI=1S/C12H9N3S4/c13-12-14-8(18-10-3-1-5-16-10)7-9(15-12)19-11-4-2-6-17-11/h1-7H,(H2,13,14,15)
InChIKeyGFHYCNVWVVESLL-UHFFFAOYSA-N
XLogP4.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine (CID 3849147) is 4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine is Nc1nc(Sc2cccs2)cc(Sc2cccs2)n1.
What is the InChIKey of 4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is GFHYCNVWVVESLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S4/c13-12-14-8(18-10-3-1-5-16-10)7-9(15-12)19-11-4-2-6-17-11/h1-7H,(H2,13,14,15).
What are the key properties of 4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine?
4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 323.49 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(thiophen-2-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 3849147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).