7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine

C8H8BrN3S — CID 130051359

IUPAC7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine
SMILESCCc1nc(N)c2scc(Br)c2n1
InChIInChI=1S/C8H8BrN3S/c1-2-5-11-6-4(9)3-13-7(6)8(10)12-5/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyCJMCUYSPEASDGM-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.60
Rot. Bonds1

About 7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine

7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 130051359) has the molecular formula C8H8BrN3S and a molecular weight of 258.14 g/mol. Its IUPAC name is 7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine
PubChem CID130051359
Molecular FormulaC8H8BrN3S
Molecular Weight258.14 g/mol
Exact Mass256.96
IUPAC Name7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine
SMILESCCc1nc(N)c2scc(Br)c2n1
InChIInChI=1S/C8H8BrN3S/c1-2-5-11-6-4(9)3-13-7(6)8(10)12-5/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyCJMCUYSPEASDGM-UHFFFAOYSA-N
XLogP2.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine (CID 130051359) is 7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine is CCc1nc(N)c2scc(Br)c2n1.
What is the InChIKey of 7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is CJMCUYSPEASDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S/c1-2-5-11-6-4(9)3-13-7(6)8(10)12-5/h3H,2H2,1H3,(H2,10,11,12).
What are the key properties of 7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine?
7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 258.14 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 130051359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).