4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

C13H13N3OS2 — CID 103334041

IUPAC4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(SCc2ccco2)c2cc(C)sc2n1
InChIInChI=1S/C13H13N3OS2/c1-8-6-10-11(18-7-9-4-3-5-17-9)15-13(14-2)16-12(10)19-8/h3-6H,7H2,1-2H3,(H,14,15,16)
InChIKeyILLIHYPGDUTSGN-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.93
Rot. Bonds4

About 4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334041) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334041
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC Name4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(SCc2ccco2)c2cc(C)sc2n1
InChIInChI=1S/C13H13N3OS2/c1-8-6-10-11(18-7-9-4-3-5-17-9)15-13(14-2)16-12(10)19-8/h3-6H,7H2,1-2H3,(H,14,15,16)
InChIKeyILLIHYPGDUTSGN-UHFFFAOYSA-N
XLogP3.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 103334041) is 4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(SCc2ccco2)c2cc(C)sc2n1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is ILLIHYPGDUTSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-8-6-10-11(18-7-9-4-3-5-17-9)15-13(14-2)16-12(10)19-8/h3-6H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 291.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).