5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine

C29H57N15 — CID 146588989

IUPAC5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine
SMILESCCCCCN(CCC1N=C(N(C)CC)N/C(=N/C)N1)C1=NC(CCN2C(N)=NC(C)N=C2N(C)CCCC)N=C(N)N1C
InChIInChI=1S/C29H57N15/c1-9-12-14-18-43(19-15-23-36-26(32-5)39-27(37-23)40(6)11-3)29-38-22(35-24(30)42(29)8)16-20-44-25(31)33-21(4)34-28(44)41(7)17-13-10-2/h21-23H,9-20H2,1-8H3,(H2,30,35)(H2,31,33)(H2,32,36,37,39)
InChIKeyGNYNFFUNSYKLSP-UHFFFAOYSA-N
MW615.88 g/mol
LogP1.08
Rot. Bonds14

About 5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine

5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine (PubChem CID 146588989) has the molecular formula C29H57N15 and a molecular weight of 615.88 g/mol. Its IUPAC name is 5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine
PubChem CID146588989
Molecular FormulaC29H57N15
Molecular Weight615.88 g/mol
Exact Mass615.49
IUPAC Name5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine
SMILESCCCCCN(CCC1N=C(N(C)CC)N/C(=N/C)N1)C1=NC(CCN2C(N)=NC(C)N=C2N(C)CCCC)N=C(N)N1C
InChIInChI=1S/C29H57N15/c1-9-12-14-18-43(19-15-23-36-26(32-5)39-27(37-23)40(6)11-3)29-38-22(35-24(30)42(29)8)16-20-44-25(31)33-21(4)34-28(44)41(7)17-13-10-2/h21-23H,9-20H2,1-8H3,(H2,30,35)(H2,31,33)(H2,32,36,37,39)
InChIKeyGNYNFFUNSYKLSP-UHFFFAOYSA-N
XLogP1.08
TPSA166.46 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.88
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine
CID 176536495
6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 137123598
6-N-[2-[2-(dimethylamino)-6-[[6-methylimino-4-[methyl-[2-(5-methylthiophen-2-yl)ethyl]amino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl-[2-(5-methylthiophen-2-yl)ethyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 137231358
6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 137231328
4-N-[4-[[6-(dimethylamino)-4-methyl-1,4-dihydro-1,3,5-triazin-2-yl]-methylamino]butyl]-6-N-ethyl-4-N,6-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176539765
4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176533747
N,N,2,5-tetramethyl-6-pentylimino-1,2-dihydro-1,3,5-triazin-4-amine
CID 136590877
5-N,3-dimethyl-5-N-pentyl-1-propylpyrazole-4,5-diamine
CID 66027038
3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine
CID 103077816
(2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136590856
(2S)-2,5-dimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine
CID 136590852
N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine
CID 54095368

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine (CID 146588989) is 5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine is CCCCCN(CCC1N=C(N(C)CC)N/C(=N/C)N1)C1=NC(CCN2C(N)=NC(C)N=C2N(C)CCCC)N=C(N)N1C.
What is the InChIKey of 5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is GNYNFFUNSYKLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57N15/c1-9-12-14-18-43(19-15-23-36-26(32-5)39-27(37-23)40(6)11-3)29-38-22(35-24(30)42(29)8)16-20-44-25(31)33-21(4)34-28(44)41(7)17-13-10-2/h21-23H,9-20H2,1-8H3,(H2,30,35)(H2,31,33)(H2,32,36,37,39).
What are the key properties of 5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine?
5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 615.88 g/mol, XLogP of 1.08, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-amino-6-[2-[4-[ethyl(methyl)amino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl-pentylamino]-5-methyl-2H-1,3,5-triazin-2-yl]ethyl]-4-N-butyl-4-N,2-dimethyl-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 146588989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).