6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine

C7H6BrN3S — CID 46942160

IUPAC6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2cc(Br)sc2n1
InChIInChI=1S/C7H6BrN3S/c1-9-7-10-3-4-2-5(8)12-6(4)11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyNQTKUOONLCBXFM-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.50
Rot. Bonds1

About 6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine

6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 46942160) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is 6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID46942160
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2cc(Br)sc2n1
InChIInChI=1S/C7H6BrN3S/c1-9-7-10-3-4-2-5(8)12-6(4)11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyNQTKUOONLCBXFM-UHFFFAOYSA-N
XLogP2.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Aminothieno(2,3-d)pyrimidine
CID 4269486
6-Bromo-4-chlorothieno[2,3-d]pyrimidine
CID 12225261
4-Bromothieno[2,3-d]pyrimidine
CID 12225264
5-Methylthieno[2,3-d]pyrimidine
CID 12285728
2-Chloro-5-methylthieno(2,3-d)pyrimidine
CID 45789640
Thieno(2,3-d)pyrimidin-6-amine
CID 96636020
Thieno(2,3-d)pyrimidine
CID 12225304
6-Bromothieno[2,3-d]pyrimidine
CID 12285730
Aminothieno[2,3 d]pyrimidine
CID 20112100
Thieno[2,3-d]pyrimidin-2-ylmethanamine
CID 23187434
Thieno[2,3-d]pyrimidin-2-ylhydrazine
CID 91053414
2-(Fluoromethyl)thieno[2,3-d]pyrimidine
CID 140996802

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 46942160) is 6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1ncc2cc(Br)sc2n1.
What is the InChIKey of 6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is NQTKUOONLCBXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c1-9-7-10-3-4-2-5(8)12-6(4)11-7/h2-3H,1H3,(H,9,10,11).
What are the key properties of 6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine?
6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 244.12 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 46942160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).