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

C22H14N4OS — CID 18382810

IUPAC6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc2oc(-c3cc4ncnc(Nc5ccc6[nH]ccc6c5)c4s3)cc2c1
InChIInChI=1S/C22H14N4OS/c1-2-4-18-14(3-1)10-19(27-18)20-11-17-21(28-20)22(25-12-24-17)26-15-5-6-16-13(9-15)7-8-23-16/h1-12,23H,(H,24,25,26)
InChIKeyWHSOWIKXLGCHQW-UHFFFAOYSA-N
MW382.45 g/mol
LogP6.33
Rot. Bonds3

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

6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 18382810) has the molecular formula C22H14N4OS and a molecular weight of 382.45 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID18382810
Molecular FormulaC22H14N4OS
Molecular Weight382.45 g/mol
Exact Mass382.09
IUPAC Name6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc2oc(-c3cc4ncnc(Nc5ccc6[nH]ccc6c5)c4s3)cc2c1
InChIInChI=1S/C22H14N4OS/c1-2-4-18-14(3-1)10-19(27-18)20-11-17-21(28-20)22(25-12-24-17)26-15-5-6-16-13(9-15)7-8-23-16/h1-12,23H,(H,24,25,26)
InChIKeyWHSOWIKXLGCHQW-UHFFFAOYSA-N
XLogP6.33
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine (CID 18382810) is 6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine is c1ccc2oc(-c3cc4ncnc(Nc5ccc6[nH]ccc6c5)c4s3)cc2c1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WHSOWIKXLGCHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4OS/c1-2-4-18-14(3-1)10-19(27-18)20-11-17-21(28-20)22(25-12-24-17)26-15-5-6-16-13(9-15)7-8-23-16/h1-12,23H,(H,24,25,26).
What are the key properties of 6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 382.45 g/mol, XLogP of 6.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18382810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).