5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine

C13H15N5OS — CID 134157761

IUPAC5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESCCCCNc1nc(N)c2nc(-c3ccco3)sc2n1
InChIInChI=1S/C13H15N5OS/c1-2-3-6-15-13-17-10(14)9-12(18-13)20-11(16-9)8-5-4-7-19-8/h4-5,7H,2-3,6H2,1H3,(H3,14,15,17,18)
InChIKeyOCYRRIUPJYARRC-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.14
Rot. Bonds5

About 5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine

5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 134157761) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID134157761
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESCCCCNc1nc(N)c2nc(-c3ccco3)sc2n1
InChIInChI=1S/C13H15N5OS/c1-2-3-6-15-13-17-10(14)9-12(18-13)20-11(16-9)8-5-4-7-19-8/h4-5,7H,2-3,6H2,1H3,(H3,14,15,17,18)
InChIKeyOCYRRIUPJYARRC-UHFFFAOYSA-N
XLogP3.14
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (CID 134157761) is 5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is CCCCNc1nc(N)c2nc(-c3ccco3)sc2n1.
What is the InChIKey of 5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is OCYRRIUPJYARRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-2-3-6-15-13-17-10(14)9-12(18-13)20-11(16-9)8-5-4-7-19-8/h4-5,7H,2-3,6H2,1H3,(H3,14,15,17,18).
What are the key properties of 5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 289.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 134157761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).