5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide

C13H23N7O — CID 106241670

IUPAC5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide
SMILESCNc1nc(NCCCCC(N)=O)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N7O/c1-15-11-17-12(16-7-3-2-6-10(14)21)19-13(18-11)20-8-4-5-9-20/h2-9H2,1H3,(H2,14,21)(H2,15,16,17,18,19)
InChIKeyCRFMOLRAXDAWDJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.58
Rot. Bonds8

About 5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide

5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide (PubChem CID 106241670) has the molecular formula C13H23N7O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide.

Molecular Properties

Compound Name5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide
PubChem CID106241670
Molecular FormulaC13H23N7O
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide
SMILESCNc1nc(NCCCCC(N)=O)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N7O/c1-15-11-17-12(16-7-3-2-6-10(14)21)19-13(18-11)20-8-4-5-9-20/h2-9H2,1H3,(H2,14,21)(H2,15,16,17,18,19)
InChIKeyCRFMOLRAXDAWDJ-UHFFFAOYSA-N
XLogP0.58
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.58
H-Bond Donors ≤ 53
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-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide?
The IUPAC name of 5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide (CID 106241670) is 5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide.
What is the SMILES notation for 5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide?
The canonical SMILES for 5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide is CNc1nc(NCCCCC(N)=O)nc(N2CCCC2)n1.
What is the InChIKey of 5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide?
The InChIKey is CRFMOLRAXDAWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-15-11-17-12(16-7-3-2-6-10(14)21)19-13(18-11)20-8-4-5-9-20/h2-9H2,1H3,(H2,14,21)(H2,15,16,17,18,19).
What are the key properties of 5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide?
5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide has a molecular weight of 293.37 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide is sourced from PubChem (CID 106241670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).