[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol

C17H13BrN4O2S — CID 59279424

IUPAC[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol
SMILESCc1ccc(-c2nc(N)c3cc(C(O)c4ncccc4Br)sc3n2)o1
InChIInChI=1S/C17H13BrN4O2S/c1-8-4-5-11(24-8)16-21-15(19)9-7-12(25-17(9)22-16)14(23)13-10(18)3-2-6-20-13/h2-7,14,23H,1H3,(H2,19,21,22)
InChIKeyMWWHITFZLJBZSY-UHFFFAOYSA-N
MW417.29 g/mol
LogP4.08
Rot. Bonds3

About [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol

[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol (PubChem CID 59279424) has the molecular formula C17H13BrN4O2S and a molecular weight of 417.29 g/mol. Its IUPAC name is [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol.

Molecular Properties

Compound Name[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol
PubChem CID59279424
Molecular FormulaC17H13BrN4O2S
Molecular Weight417.29 g/mol
Exact Mass415.99
IUPAC Name[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol
SMILESCc1ccc(-c2nc(N)c3cc(C(O)c4ncccc4Br)sc3n2)o1
InChIInChI=1S/C17H13BrN4O2S/c1-8-4-5-11(24-8)16-21-15(19)9-7-12(25-17(9)22-16)14(23)13-10(18)3-2-6-20-13/h2-7,14,23H,1H3,(H2,19,21,22)
InChIKeyMWWHITFZLJBZSY-UHFFFAOYSA-N
XLogP4.08
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 54.08
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-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol?
The IUPAC name of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol (CID 59279424) is [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol.
What is the SMILES notation for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol?
The canonical SMILES for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol is Cc1ccc(-c2nc(N)c3cc(C(O)c4ncccc4Br)sc3n2)o1.
What is the InChIKey of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol?
The InChIKey is MWWHITFZLJBZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2S/c1-8-4-5-11(24-8)16-21-15(19)9-7-12(25-17(9)22-16)14(23)13-10(18)3-2-6-20-13/h2-7,14,23H,1H3,(H2,19,21,22).
What are the key properties of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol?
[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol has a molecular weight of 417.29 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-bromo-2-pyridinyl)methanol is sourced from PubChem (CID 59279424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).