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

C17H12F2N4OS — CID 45274942

IUPAC2-[5-(difluoromethyl)furan-2-yl]-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ccccn3)cc12
InChIInChI=1S/C17H12F2N4OS/c18-14(19)12-4-5-13(24-12)16-22-15(20)11-8-10(25-17(11)23-16)7-9-3-1-2-6-21-9/h1-6,8,14H,7H2,(H2,20,22,23)
InChIKeyGVKMEEGVGCBTIP-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.46
Rot. Bonds4

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

2-[5-(difluoromethyl)furan-2-yl]-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274942) has the molecular formula C17H12F2N4OS and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)furan-2-yl]-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)furan-2-yl]-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45274942
Molecular FormulaC17H12F2N4OS
Molecular Weight358.37 g/mol
Exact Mass358.07
IUPAC Name2-[5-(difluoromethyl)furan-2-yl]-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ccccn3)cc12
InChIInChI=1S/C17H12F2N4OS/c18-14(19)12-4-5-13(24-12)16-22-15(20)11-8-10(25-17(11)23-16)7-9-3-1-2-6-21-9/h1-6,8,14H,7H2,(H2,20,22,23)
InChIKeyGVKMEEGVGCBTIP-UHFFFAOYSA-N
XLogP4.46
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.46
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-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[5-(difluoromethyl)furan-2-yl]-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45274942) is 2-[5-(difluoromethyl)furan-2-yl]-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[5-(difluoromethyl)furan-2-yl]-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[5-(difluoromethyl)furan-2-yl]-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ccccn3)cc12.
What is the InChIKey of 2-[5-(difluoromethyl)furan-2-yl]-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GVKMEEGVGCBTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4OS/c18-14(19)12-4-5-13(24-12)16-22-15(20)11-8-10(25-17(11)23-16)7-9-3-1-2-6-21-9/h1-6,8,14H,7H2,(H2,20,22,23).
What are the key properties of 2-[5-(difluoromethyl)furan-2-yl]-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-[5-(difluoromethyl)furan-2-yl]-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 358.37 g/mol, XLogP of 4.46, 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-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45274942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).