dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate

C31H38K2N8O12S3 — CID 158393610

About dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate

dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate (PubChem CID 158393610) has the molecular formula C31H38K2N8O12S3 and a molecular weight of 889.09 g/mol. Its IUPAC name is dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate.

Molecular Properties

• Compound Name: dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate
• PubChem CID: 158393610
• Molecular Formula: C31H38K2N8O12S3
• Molecular Weight: 889.09 g/mol
• Exact Mass: 888.10
• IUPAC Name: dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate
• SMILES: C.Cc1ccc(-c2nc(OCCO)nc3sc(C(N)=O)c(N)c23)o1.Cc1ccc(-c2nc(S(C)=O)nc3sc(C(N)=O)c(N)c23)o1.O=CO[O-].OCCO.[H-].[K+].[K+]
• InChI: InChI=1S/C14H14N4O4S.C13H12N4O3S2.C2H6O2.CH2O3.CH4.2K.H/c1-6-2-3-7(22-6)10-8-9(15)11(12(16)20)23-13(8)18-14(17-10)21-5-4-19;1-5-3-4-6(20-5)9-7-8(14)10(11(15)18)21-12(7)17-13(16-9)22(2)19;3-1-2-4;2-1-4-3;;;;/h2-3,19H,4-5,15H2,1H3,(H2,16,20);3-4H,14H2,1-2H3,(H2,15,18);3-4H,1-2H2;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1
• InChIKey: BZGZDQNCMRYKNM-UHFFFAOYSA-M
• XLogP: -4.85
• TPSA: 352.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.09
LogP ≤ 5	-4.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate?

The IUPAC name of dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate (CID 158393610) is dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate.

What is the SMILES notation for dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate?

The canonical SMILES for dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate is C.Cc1ccc(-c2nc(OCCO)nc3sc(C(N)=O)c(N)c23)o1.Cc1ccc(-c2nc(S(C)=O)nc3sc(C(N)=O)c(N)c23)o1.O=CO[O-].OCCO.[H-].[K+].[K+].

What is the InChIKey of dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate?

The InChIKey is BZGZDQNCMRYKNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N4O4S.C13H12N4O3S2.C2H6O2.CH2O3.CH4.2K.H/c1-6-2-3-7(22-6)10-8-9(15)11(12(16)20)23-13(8)18-14(17-10)21-5-4-19;1-5-3-4-6(20-5)9-7-8(14)10(11(15)18)21-12(7)17-13(16-9)22(2)19;3-1-2-4;2-1-4-3;;;;/h2-3,19H,4-5,15H2,1H3,(H2,16,20);3-4H,14H2,1-2H3,(H2,15,18);3-4H,1-2H2;1,3H;1H4;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate?

dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate has a molecular weight of 889.09 g/mol, XLogP of -4.85, 10 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;5-amino-2-(2-hydroxyethoxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(5-methylfuran-2-yl)-2-methylsulfinylthieno[2,3-d]pyrimidine-6-carboxamide;ethane-1,2-diol;hydride;methane;oxido formate is sourced from PubChem (CID 158393610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).