6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

C19H17N3OS — CID 45275619

IUPAC6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1
InChIInChI=1S/C19H17N3OS/c1-2-13-8-9-16(23-13)18-21-17(20)15-11-14(24-19(15)22-18)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,20,21,22)
InChIKeyANVWGBHEIKDLMZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.69
Rot. Bonds4

About 6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275619) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275619
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1
InChIInChI=1S/C19H17N3OS/c1-2-13-8-9-16(23-13)18-21-17(20)15-11-14(24-19(15)22-18)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,20,21,22)
InChIKeyANVWGBHEIKDLMZ-UHFFFAOYSA-N
XLogP4.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45275619) is 6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1.
What is the InChIKey of 6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ANVWGBHEIKDLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-2-13-8-9-16(23-13)18-21-17(20)15-11-14(24-19(15)22-18)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,20,21,22).
What are the key properties of 6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 335.43 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).