6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione

C15H13N3O3S2 — CID 2925694

IUPAC6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2cccs2)c(O)c1/C=N/Cc1cccs1
InChIInChI=1S/C15H13N3O3S2/c19-13-12(8-16-7-10-3-1-5-22-10)14(20)18(15(21)17-13)9-11-4-2-6-23-11/h1-6,8,20H,7,9H2,(H,17,19,21)/b16-8+
InChIKeyGEOGUDNTRLNCHF-LZYBPNLTSA-N
MW347.42 g/mol
LogP2.03
Rot. Bonds5

About 6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione

6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione (PubChem CID 2925694) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione
PubChem CID2925694
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2cccs2)c(O)c1/C=N/Cc1cccs1
InChIInChI=1S/C15H13N3O3S2/c19-13-12(8-16-7-10-3-1-5-22-10)14(20)18(15(21)17-13)9-11-4-2-6-23-11/h1-6,8,20H,7,9H2,(H,17,19,21)/b16-8+
InChIKeyGEOGUDNTRLNCHF-LZYBPNLTSA-N
XLogP2.03
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione (CID 2925694) is 6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2cccs2)c(O)c1/C=N/Cc1cccs1.
What is the InChIKey of 6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione?
The InChIKey is GEOGUDNTRLNCHF-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c19-13-12(8-16-7-10-3-1-5-22-10)14(20)18(15(21)17-13)9-11-4-2-6-23-11/h1-6,8,20H,7,9H2,(H,17,19,21)/b16-8+.
What are the key properties of 6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione?
6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione has a molecular weight of 347.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2925694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).