6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

C13H13N3OS — CID 104806564

IUPAC6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(-c3occc3C)nc2s1
InChIInChI=1S/C13H13N3OS/c1-3-8-6-9-11(14)15-12(16-13(9)18-8)10-7(2)4-5-17-10/h4-6H,3H2,1-2H3,(H2,14,15,16)
InChIKeyKHKCPIUPDYFRSA-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.40
Rot. Bonds2

About 6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 104806564) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID104806564
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(-c3occc3C)nc2s1
InChIInChI=1S/C13H13N3OS/c1-3-8-6-9-11(14)15-12(16-13(9)18-8)10-7(2)4-5-17-10/h4-6H,3H2,1-2H3,(H2,14,15,16)
InChIKeyKHKCPIUPDYFRSA-UHFFFAOYSA-N
XLogP3.40
TPSA64.94 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104806532
6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 141266147
6-ethyl-2-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614813
6-ethyl-5-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806721
6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614303
2-(3,4-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63615139
6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 106849494
[6-ethyl-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63614035
5-ethyl-2-(3-methylfuran-2-yl)-1,3-thiazole
CID 104808043
2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 55250109
5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806896
5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113455467

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 104806564) is 6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N)nc(-c3occc3C)nc2s1.
What is the InChIKey of 6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KHKCPIUPDYFRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-3-8-6-9-11(14)15-12(16-13(9)18-8)10-7(2)4-5-17-10/h4-6H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 104806564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).