2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

C11H9N3S3 — CID 62190130

IUPAC2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CSc2cccs2)nc2sccc12
InChIInChI=1S/C11H9N3S3/c12-10-7-3-5-16-11(7)14-8(13-10)6-17-9-2-1-4-15-9/h1-5H,6H2,(H2,12,13,14)
InChIKeyQJFNAHWJBKWFAR-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.63
Rot. Bonds3

About 2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62190130) has the molecular formula C11H9N3S3 and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62190130
Molecular FormulaC11H9N3S3
Molecular Weight279.41 g/mol
Exact Mass279.00
IUPAC Name2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CSc2cccs2)nc2sccc12
InChIInChI=1S/C11H9N3S3/c12-10-7-3-5-16-11(7)14-8(13-10)6-17-9-2-1-4-15-9/h1-5H,6H2,(H2,12,13,14)
InChIKeyQJFNAHWJBKWFAR-UHFFFAOYSA-N
XLogP3.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55045080
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-(butylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62187720
2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189115
2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55086666
2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62766247
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-methylpropan-1-ol
CID 66103205
methyl 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate
CID 62188952
2-(3-phenylprop-2-ynylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 62726751
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 62882605

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62190130) is 2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(CSc2cccs2)nc2sccc12.
What is the InChIKey of 2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QJFNAHWJBKWFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S3/c12-10-7-3-5-16-11(7)14-8(13-10)6-17-9-2-1-4-15-9/h1-5H,6H2,(H2,12,13,14).
What are the key properties of 2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62190130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).