6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine

C14H9BrN4S — CID 18383051

IUPAC6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESBrc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1
InChIInChI=1S/C14H9BrN4S/c15-12-6-11-13(20-12)14(18-7-17-11)19-9-1-2-10-8(5-9)3-4-16-10/h1-7,16H,(H,17,18,19)
InChIKeyMYAXLZHMQWXDMT-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.68
Rot. Bonds2

About 6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine

6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 18383051) has the molecular formula C14H9BrN4S and a molecular weight of 345.23 g/mol. Its IUPAC name is 6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID18383051
Molecular FormulaC14H9BrN4S
Molecular Weight345.23 g/mol
Exact Mass343.97
IUPAC Name6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESBrc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1
InChIInChI=1S/C14H9BrN4S/c15-12-6-11-13(20-12)14(18-7-17-11)19-9-1-2-10-8(5-9)3-4-16-10/h1-7,16H,(H,17,18,19)
InChIKeyMYAXLZHMQWXDMT-UHFFFAOYSA-N
XLogP4.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine (CID 18383051) is 6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine is Brc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1.
What is the InChIKey of 6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is MYAXLZHMQWXDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4S/c15-12-6-11-13(20-12)14(18-7-17-11)19-9-1-2-10-8(5-9)3-4-16-10/h1-7,16H,(H,17,18,19).
What are the key properties of 6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 345.23 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18383051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).