1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol

C18H16N4O2S — CID 59279435

IUPAC1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol
SMILESCc1ccc(-c2nc(N)c3cc(C(C)(O)c4ccccn4)sc3n2)o1
InChIInChI=1S/C18H16N4O2S/c1-10-6-7-12(24-10)16-21-15(19)11-9-14(25-17(11)22-16)18(2,23)13-5-3-4-8-20-13/h3-9,23H,1-2H3,(H2,19,21,22)
InChIKeyUGSYMFHEBAKANW-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.49
Rot. Bonds3

About 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol

1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol (PubChem CID 59279435) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol
PubChem CID59279435
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol
SMILESCc1ccc(-c2nc(N)c3cc(C(C)(O)c4ccccn4)sc3n2)o1
InChIInChI=1S/C18H16N4O2S/c1-10-6-7-12(24-10)16-21-15(19)11-9-14(25-17(11)22-16)18(2,23)13-5-3-4-8-20-13/h3-9,23H,1-2H3,(H2,19,21,22)
InChIKeyUGSYMFHEBAKANW-UHFFFAOYSA-N
XLogP3.49
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.49
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-pyridin-2-ylethanol?
The IUPAC name of 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol (CID 59279435) is 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol.
What is the SMILES notation for 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol?
The canonical SMILES for 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol is Cc1ccc(-c2nc(N)c3cc(C(C)(O)c4ccccn4)sc3n2)o1.
What is the InChIKey of 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol?
The InChIKey is UGSYMFHEBAKANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-10-6-7-12(24-10)16-21-15(19)11-9-14(25-17(11)22-16)18(2,23)13-5-3-4-8-20-13/h3-9,23H,1-2H3,(H2,19,21,22).
What are the key properties of 1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol?
1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol has a molecular weight of 352.42 g/mol, XLogP of 3.49, 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-pyridin-2-ylethanol is sourced from PubChem (CID 59279435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).