1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol

C18H15FN4O2S — CID 59279421

IUPAC1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol
SMILESCc1ccc(-c2nc(N)c3cc(C(C)(O)c4ncccc4F)sc3n2)o1
InChIInChI=1S/C18H15FN4O2S/c1-9-5-6-12(25-9)16-22-15(20)10-8-13(26-17(10)23-16)18(2,24)14-11(19)4-3-7-21-14/h3-8,24H,1-2H3,(H2,20,22,23)
InChIKeyITNMYNDNZWVKMX-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.63
Rot. Bonds3

About 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol

1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol (PubChem CID 59279421) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol
PubChem CID59279421
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol
SMILESCc1ccc(-c2nc(N)c3cc(C(C)(O)c4ncccc4F)sc3n2)o1
InChIInChI=1S/C18H15FN4O2S/c1-9-5-6-12(25-9)16-22-15(20)10-8-13(26-17(10)23-16)18(2,24)14-11(19)4-3-7-21-14/h3-8,24H,1-2H3,(H2,20,22,23)
InChIKeyITNMYNDNZWVKMX-UHFFFAOYSA-N
XLogP3.63
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol (CID 59279421) is 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol is Cc1ccc(-c2nc(N)c3cc(C(C)(O)c4ncccc4F)sc3n2)o1.
What is the InChIKey of 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol?
The InChIKey is ITNMYNDNZWVKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-9-5-6-12(25-9)16-22-15(20)10-8-13(26-17(10)23-16)18(2,24)14-11(19)4-3-7-21-14/h3-8,24H,1-2H3,(H2,20,22,23).
What are the key properties of 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol?
1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol has a molecular weight of 370.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-(3-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 59279421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).