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

C17H9F3N4O2S — CID 45274828

IUPAC[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(C(=O)c3ncccc3F)cc12
InChIInChI=1S/C17H9F3N4O2S/c18-8-2-1-5-22-12(8)13(25)11-6-7-15(21)23-16(24-17(7)27-11)10-4-3-9(26-10)14(19)20/h1-6,14H,(H2,21,23,24)
InChIKeySNKCLCMNZPSDIX-UHFFFAOYSA-N
MW390.35 g/mol
LogP4.24
Rot. Bonds4

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

[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone (PubChem CID 45274828) has the molecular formula C17H9F3N4O2S and a molecular weight of 390.35 g/mol. Its IUPAC name is [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone
PubChem CID45274828
Molecular FormulaC17H9F3N4O2S
Molecular Weight390.35 g/mol
Exact Mass390.04
IUPAC Name[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(C(=O)c3ncccc3F)cc12
InChIInChI=1S/C17H9F3N4O2S/c18-8-2-1-5-22-12(8)13(25)11-6-7-15(21)23-16(24-17(7)27-11)10-4-3-9(26-10)14(19)20/h1-6,14H,(H2,21,23,24)
InChIKeySNKCLCMNZPSDIX-UHFFFAOYSA-N
XLogP4.24
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone?
The IUPAC name of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone (CID 45274828) is [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone is Nc1nc(-c2ccc(C(F)F)o2)nc2sc(C(=O)c3ncccc3F)cc12.
What is the InChIKey of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone?
The InChIKey is SNKCLCMNZPSDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4O2S/c18-8-2-1-5-22-12(8)13(25)11-6-7-15(21)23-16(24-17(7)27-11)10-4-3-9(26-10)14(19)20/h1-6,14H,(H2,21,23,24).
What are the key properties of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone?
[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone has a molecular weight of 390.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 45274828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).