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

C17H11F3N4OS — CID 45274827

IUPAC2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ncccc3F)cc12
InChIInChI=1S/C17H11F3N4OS/c18-10-2-1-5-22-11(10)7-8-6-9-15(21)23-16(24-17(9)26-8)13-4-3-12(25-13)14(19)20/h1-6,14H,7H2,(H2,21,23,24)
InChIKeyMZBLNKALFHHOIJ-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.60
Rot. Bonds4

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

2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274827) has the molecular formula C17H11F3N4OS and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID45274827
Molecular FormulaC17H11F3N4OS
Molecular Weight376.36 g/mol
Exact Mass376.06
IUPAC Name2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ncccc3F)cc12
InChIInChI=1S/C17H11F3N4OS/c18-10-2-1-5-22-11(10)7-8-6-9-15(21)23-16(24-17(9)26-8)13-4-3-12(25-13)14(19)20/h1-6,14H,7H2,(H2,21,23,24)
InChIKeyMZBLNKALFHHOIJ-UHFFFAOYSA-N
XLogP4.60
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 45274827) is 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ncccc3F)cc12.
What is the InChIKey of 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MZBLNKALFHHOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4OS/c18-10-2-1-5-22-11(10)7-8-6-9-15(21)23-16(24-17(9)26-8)13-4-3-12(25-13)14(19)20/h1-6,14H,7H2,(H2,21,23,24).
What are the key properties of 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 376.36 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)furan-2-yl]-6-[(3-fluoro-2-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45274827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).