6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

C19H14FN3S — CID 45275173

IUPAC6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cccc(F)c2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C19H14FN3S/c20-14-8-4-7-13(10-14)18-22-17(21)16-11-15(24-19(16)23-18)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H2,21,22,23)
InChIKeyBRMQUXUPXMYYIL-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.67
Rot. Bonds3

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

6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275173) has the molecular formula C19H14FN3S and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275173
Molecular FormulaC19H14FN3S
Molecular Weight335.41 g/mol
Exact Mass335.09
IUPAC Name6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cccc(F)c2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C19H14FN3S/c20-14-8-4-7-13(10-14)18-22-17(21)16-11-15(24-19(16)23-18)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H2,21,22,23)
InChIKeyBRMQUXUPXMYYIL-UHFFFAOYSA-N
XLogP4.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 45275173) is 6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2cccc(F)c2)nc2sc(Cc3ccccc3)cc12.
What is the InChIKey of 6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BRMQUXUPXMYYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3S/c20-14-8-4-7-13(10-14)18-22-17(21)16-11-15(24-19(16)23-18)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H2,21,22,23).
What are the key properties of 6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 335.41 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(3-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).