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

C13H13N3OS — CID 63618358

IUPACN-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccco2)nc2sc(C)cc12
InChIInChI=1S/C13H13N3OS/c1-3-14-11-9-7-8(2)18-13(9)16-12(15-11)10-5-4-6-17-10/h4-7H,3H2,1-2H3,(H,14,15,16)
InChIKeyQLTZLQFKPFPOFO-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.69
Rot. Bonds3

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

N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63618358) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63618358
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccco2)nc2sc(C)cc12
InChIInChI=1S/C13H13N3OS/c1-3-14-11-9-7-8(2)18-13(9)16-12(15-11)10-5-4-6-17-10/h4-7H,3H2,1-2H3,(H,14,15,16)
InChIKeyQLTZLQFKPFPOFO-UHFFFAOYSA-N
XLogP3.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 63618358) is N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(-c2ccco2)nc2sc(C)cc12.
What is the InChIKey of N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QLTZLQFKPFPOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-3-14-11-9-7-8(2)18-13(9)16-12(15-11)10-5-4-6-17-10/h4-7H,3H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63618358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).