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

C17H12F2N4O3S — CID 45274941

IUPAC2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(C(O)c3ncccc3O)cc12
InChIInChI=1S/C17H12F2N4O3S/c18-14(19)9-3-4-10(26-9)16-22-15(20)7-6-11(27-17(7)23-16)13(25)12-8(24)2-1-5-21-12/h1-6,13-14,24-25H,(H2,20,22,23)
InChIKeyFHDUQDCBQAFGEE-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.65
Rot. Bonds4

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

2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol (PubChem CID 45274941) has the molecular formula C17H12F2N4O3S and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol
PubChem CID45274941
Molecular FormulaC17H12F2N4O3S
Molecular Weight390.37 g/mol
Exact Mass390.06
IUPAC Name2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(C(O)c3ncccc3O)cc12
InChIInChI=1S/C17H12F2N4O3S/c18-14(19)9-3-4-10(26-9)16-22-15(20)7-6-11(27-17(7)23-16)13(25)12-8(24)2-1-5-21-12/h1-6,13-14,24-25H,(H2,20,22,23)
InChIKeyFHDUQDCBQAFGEE-UHFFFAOYSA-N
XLogP3.65
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol?
The IUPAC name of 2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol (CID 45274941) is 2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol.
What is the SMILES notation for 2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol?
The canonical SMILES for 2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol is Nc1nc(-c2ccc(C(F)F)o2)nc2sc(C(O)c3ncccc3O)cc12.
What is the InChIKey of 2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol?
The InChIKey is FHDUQDCBQAFGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3S/c18-14(19)9-3-4-10(26-9)16-22-15(20)7-6-11(27-17(7)23-16)13(25)12-8(24)2-1-5-21-12/h1-6,13-14,24-25H,(H2,20,22,23).
What are the key properties of 2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol?
2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol has a molecular weight of 390.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol is sourced from PubChem (CID 45274941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).