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

C17H12F2N4O2S — CID 45274938

IUPAC[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(C(O)c3ccccn3)cc12
InChIInChI=1S/C17H12F2N4O2S/c18-14(19)10-4-5-11(25-10)16-22-15(20)8-7-12(26-17(8)23-16)13(24)9-3-1-2-6-21-9/h1-7,13-14,24H,(H2,20,22,23)
InChIKeyRSQSLOPMJRTVLH-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.95
Rot. Bonds4

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

[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol (PubChem CID 45274938) has the molecular formula C17H12F2N4O2S and a molecular weight of 374.37 g/mol. Its IUPAC name is [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol
PubChem CID45274938
Molecular FormulaC17H12F2N4O2S
Molecular Weight374.37 g/mol
Exact Mass374.06
IUPAC Name[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(C(O)c3ccccn3)cc12
InChIInChI=1S/C17H12F2N4O2S/c18-14(19)10-4-5-11(25-10)16-22-15(20)8-7-12(26-17(8)23-16)13(24)9-3-1-2-6-21-9/h1-7,13-14,24H,(H2,20,22,23)
InChIKeyRSQSLOPMJRTVLH-UHFFFAOYSA-N
XLogP3.95
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
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]-pyridin-2-ylmethanol?
The IUPAC name of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol (CID 45274938) is [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol is Nc1nc(-c2ccc(C(F)F)o2)nc2sc(C(O)c3ccccn3)cc12.
What is the InChIKey of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol?
The InChIKey is RSQSLOPMJRTVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O2S/c18-14(19)10-4-5-11(25-10)16-22-15(20)8-7-12(26-17(8)23-16)13(24)9-3-1-2-6-21-9/h1-7,13-14,24H,(H2,20,22,23).
What are the key properties of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol?
[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol has a molecular weight of 374.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 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]-pyridin-2-ylmethanol is sourced from PubChem (CID 45274938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).