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

C18H13F2N3OS — CID 45274431

IUPAC6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C18H13F2N3OS/c19-15(20)13-6-7-14(24-13)17-22-16(21)12-9-11(25-18(12)23-17)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H2,21,22,23)
InChIKeyAURLHFYBUXKXRM-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.06
Rot. Bonds4

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

6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274431) has the molecular formula C18H13F2N3OS and a molecular weight of 357.38 g/mol. Its IUPAC name is 6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID45274431
Molecular FormulaC18H13F2N3OS
Molecular Weight357.38 g/mol
Exact Mass357.07
IUPAC Name6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C18H13F2N3OS/c19-15(20)13-6-7-14(24-13)17-22-16(21)12-9-11(25-18(12)23-17)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H2,21,22,23)
InChIKeyAURLHFYBUXKXRM-UHFFFAOYSA-N
XLogP5.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine (CID 45274431) is 6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ccccc3)cc12.
What is the InChIKey of 6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AURLHFYBUXKXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3OS/c19-15(20)13-6-7-14(24-13)17-22-16(21)12-9-11(25-18(12)23-17)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H2,21,22,23).
What are the key properties of 6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 357.38 g/mol, XLogP of 5.06, 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-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45274431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).