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

C12H23N7O — CID 106241608

IUPAC5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide
SMILESCCN(CC)c1nc(N)nc(NCCCCC(N)=O)n1
InChIInChI=1S/C12H23N7O/c1-3-19(4-2)12-17-10(14)16-11(18-12)15-8-6-5-7-9(13)20/h3-8H2,1-2H3,(H2,13,20)(H3,14,15,16,17,18)
InChIKeySASMSVPTLRABEP-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.37
Rot. Bonds9

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

5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide (PubChem CID 106241608) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide.

Molecular Properties

Compound Name5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide
PubChem CID106241608
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide
SMILESCCN(CC)c1nc(N)nc(NCCCCC(N)=O)n1
InChIInChI=1S/C12H23N7O/c1-3-19(4-2)12-17-10(14)16-11(18-12)15-8-6-5-7-9(13)20/h3-8H2,1-2H3,(H2,13,20)(H3,14,15,16,17,18)
InChIKeySASMSVPTLRABEP-UHFFFAOYSA-N
XLogP0.37
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.37
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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Related Compounds

5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241626
N-[2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788576
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80778165
4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80788682
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343509
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80786818
2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80757025
2-N,2-N-diethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 106433977
2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80833177
2-N,2-N-diethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80804891

Frequently Asked Questions

What is the IUPAC name of 5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide?
The IUPAC name of 5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide (CID 106241608) is 5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide.
What is the SMILES notation for 5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide?
The canonical SMILES for 5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide is CCN(CC)c1nc(N)nc(NCCCCC(N)=O)n1.
What is the InChIKey of 5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide?
The InChIKey is SASMSVPTLRABEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-3-19(4-2)12-17-10(14)16-11(18-12)15-8-6-5-7-9(13)20/h3-8H2,1-2H3,(H2,13,20)(H3,14,15,16,17,18).
What are the key properties of 5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide?
5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide has a molecular weight of 281.36 g/mol, XLogP of 0.37, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide is sourced from PubChem (CID 106241608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).