2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C13H13N3OS — CID 62699465

IUPAC2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccco2)nc2sc(C)c(C)c12
InChIInChI=1S/C13H13N3OS/c1-7-8(2)18-13-10(7)12(14-3)15-11(16-13)9-5-4-6-17-9/h4-6H,1-3H3,(H,14,15,16)
InChIKeyFPKRXRXRFDZSLQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.61
Rot. Bonds2

About 2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62699465) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62699465
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccco2)nc2sc(C)c(C)c12
InChIInChI=1S/C13H13N3OS/c1-7-8(2)18-13-10(7)12(14-3)15-11(16-13)9-5-4-6-17-9/h4-6H,1-3H3,(H,14,15,16)
InChIKeyFPKRXRXRFDZSLQ-UHFFFAOYSA-N
XLogP3.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 62699465) is 2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(-c2ccco2)nc2sc(C)c(C)c12.
What is the InChIKey of 2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FPKRXRXRFDZSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-7-8(2)18-13-10(7)12(14-3)15-11(16-13)9-5-4-6-17-9/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of 2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62699465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).