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

C17H14N4O3S — CID 59279436

IUPAC2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol
SMILESCc1ccc(-c2nc(N)c3cc(C(O)c4ncccc4O)sc3n2)o1
InChIInChI=1S/C17H14N4O3S/c1-8-4-5-11(24-8)16-20-15(18)9-7-12(25-17(9)21-16)14(23)13-10(22)3-2-6-19-13/h2-7,14,22-23H,1H3,(H2,18,20,21)
InChIKeyZADHCNGVVWNYMK-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.02
Rot. Bonds3

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

2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol (PubChem CID 59279436) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol
PubChem CID59279436
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol
SMILESCc1ccc(-c2nc(N)c3cc(C(O)c4ncccc4O)sc3n2)o1
InChIInChI=1S/C17H14N4O3S/c1-8-4-5-11(24-8)16-20-15(18)9-7-12(25-17(9)21-16)14(23)13-10(22)3-2-6-19-13/h2-7,14,22-23H,1H3,(H2,18,20,21)
InChIKeyZADHCNGVVWNYMK-UHFFFAOYSA-N
XLogP3.02
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol?
The IUPAC name of 2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol (CID 59279436) is 2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol.
What is the SMILES notation for 2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol?
The canonical SMILES for 2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol is Cc1ccc(-c2nc(N)c3cc(C(O)c4ncccc4O)sc3n2)o1.
What is the InChIKey of 2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol?
The InChIKey is ZADHCNGVVWNYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-8-4-5-11(24-8)16-20-15(18)9-7-12(25-17(9)21-16)14(23)13-10(22)3-2-6-19-13/h2-7,14,22-23H,1H3,(H2,18,20,21).
What are the key properties of 2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol?
2-[[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol has a molecular weight of 354.39 g/mol, XLogP of 3.02, 3 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-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-hydroxymethyl]pyridin-3-ol is sourced from PubChem (CID 59279436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).