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

C18H14F2N4O3S — CID 45274832

IUPAC[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol
SMILESCOc1cccnc1C(O)c1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1
InChIInChI=1S/C18H14F2N4O3S/c1-26-9-3-2-6-22-13(9)14(25)12-7-8-16(21)23-17(24-18(8)28-12)11-5-4-10(27-11)15(19)20/h2-7,14-15,25H,1H3,(H2,21,23,24)
InChIKeyAFKJVHGWSNNBQT-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.96
Rot. Bonds5

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

[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol (PubChem CID 45274832) has the molecular formula C18H14F2N4O3S and a molecular weight of 404.40 g/mol. Its IUPAC name is [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol
PubChem CID45274832
Molecular FormulaC18H14F2N4O3S
Molecular Weight404.40 g/mol
Exact Mass404.08
IUPAC Name[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol
SMILESCOc1cccnc1C(O)c1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1
InChIInChI=1S/C18H14F2N4O3S/c1-26-9-3-2-6-22-13(9)14(25)12-7-8-16(21)23-17(24-18(8)28-12)11-5-4-10(27-11)15(19)20/h2-7,14-15,25H,1H3,(H2,21,23,24)
InChIKeyAFKJVHGWSNNBQT-UHFFFAOYSA-N
XLogP3.96
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-methoxy-2-pyridinyl)methanol?
The IUPAC name of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol (CID 45274832) is [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol.
What is the SMILES notation for [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol?
The canonical SMILES for [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol is COc1cccnc1C(O)c1cc2c(N)nc(-c3ccc(C(F)F)o3)nc2s1.
What is the InChIKey of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol?
The InChIKey is AFKJVHGWSNNBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O3S/c1-26-9-3-2-6-22-13(9)14(25)12-7-8-16(21)23-17(24-18(8)28-12)11-5-4-10(27-11)15(19)20/h2-7,14-15,25H,1H3,(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-methoxy-2-pyridinyl)methanol?
[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol has a molecular weight of 404.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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-methoxy-2-pyridinyl)methanol is sourced from PubChem (CID 45274832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).