2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine

C11H8BrN3S3 — CID 55111023

IUPAC2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(SCc2sccc2Br)nc2sccc12
InChIInChI=1S/C11H8BrN3S3/c12-7-2-4-16-8(7)5-18-11-14-9(13)6-1-3-17-10(6)15-11/h1-4H,5H2,(H2,13,14,15)
InChIKeyLYMMGOLNIAJTTD-UHFFFAOYSA-N
MW358.31 g/mol
LogP4.39
Rot. Bonds3

About 2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine

2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 55111023) has the molecular formula C11H8BrN3S3 and a molecular weight of 358.31 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID55111023
Molecular FormulaC11H8BrN3S3
Molecular Weight358.31 g/mol
Exact Mass356.91
IUPAC Name2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(SCc2sccc2Br)nc2sccc12
InChIInChI=1S/C11H8BrN3S3/c12-7-2-4-16-8(7)5-18-11-14-9(13)6-1-3-17-10(6)15-11/h1-4H,5H2,(H2,13,14,15)
InChIKeyLYMMGOLNIAJTTD-UHFFFAOYSA-N
XLogP4.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-bromofuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 62728609
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 37178860
2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 104792341
2-(3-phenylprop-2-ynylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 62726751
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 60733654
2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 116522086
2-[2-(3-methoxypropoxy)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 103180181
2-pentan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-amine
CID 103727732
2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62190130
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 51264157
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 60699189
3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 60728043

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine (CID 55111023) is 2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(SCc2sccc2Br)nc2sccc12.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LYMMGOLNIAJTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3S3/c12-7-2-4-16-8(7)5-18-11-14-9(13)6-1-3-17-10(6)15-11/h1-4H,5H2,(H2,13,14,15).
What are the key properties of 2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 358.31 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55111023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).