2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

C12H11N3OS2 — CID 62189115

IUPAC2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CSCc2ccco2)nc2sccc12
InChIInChI=1S/C12H11N3OS2/c13-11-9-3-5-18-12(9)15-10(14-11)7-17-6-8-2-1-4-16-8/h1-5H,6-7H2,(H2,13,14,15)
InChIKeyHQRFYAAHQHIIBX-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.30
Rot. Bonds4

About 2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62189115) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62189115
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CSCc2ccco2)nc2sccc12
InChIInChI=1S/C12H11N3OS2/c13-11-9-3-5-18-12(9)15-10(14-11)7-17-6-8-2-1-4-16-8/h1-5H,6-7H2,(H2,13,14,15)
InChIKeyHQRFYAAHQHIIBX-UHFFFAOYSA-N
XLogP3.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62766247
2-(butylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62187720
2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62190130
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol
CID 66103205
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 51264113
methyl 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate
CID 62188952
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 62189221
2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62187505
2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62187847
2-[(4-methoxyphenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62190157
2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55086666
2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188910

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62189115) is 2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(CSCc2ccco2)nc2sccc12.
What is the InChIKey of 2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HQRFYAAHQHIIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c13-11-9-3-5-18-12(9)15-10(14-11)7-17-6-8-2-1-4-16-8/h1-5H,6-7H2,(H2,13,14,15).
What are the key properties of 2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62189115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).