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

C19H38N10 — CID 176539765

IUPAC4-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
SMILESCCN(C)C1=NC(N(C)CCCCN(C)C2=NC(C)N=C(N(C)C)N2)=NC(C)N1
InChIInChI=1S/C19H38N10/c1-9-27(6)17-21-15(3)23-19(25-17)29(8)13-11-10-12-28(7)18-22-14(2)20-16(24-18)26(4)5/h14-15H,9-13H2,1-8H3,(H,20,22,24)(H,21,23,25)
InChIKeyCLTNHZNQJDOQLX-UHFFFAOYSA-N
MW406.58 g/mol
LogP0.47
Rot. Bonds6

About 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

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 (PubChem CID 176539765) has the molecular formula C19H38N10 and a molecular weight of 406.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID176539765
Molecular FormulaC19H38N10
Molecular Weight406.58 g/mol
Exact Mass406.33
IUPAC Name4-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
SMILESCCN(C)C1=NC(N(C)CCCCN(C)C2=NC(C)N=C(N(C)C)N2)=NC(C)N1
InChIInChI=1S/C19H38N10/c1-9-27(6)17-21-15(3)23-19(25-17)29(8)13-11-10-12-28(7)18-22-14(2)20-16(24-18)26(4)5/h14-15H,9-13H2,1-8H3,(H,20,22,24)(H,21,23,25)
InChIKeyCLTNHZNQJDOQLX-UHFFFAOYSA-N
XLogP0.47
TPSA86.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176533747
6-butylimino-N,N,2,5-tetramethyl-1,2-dihydro-1,3,5-triazin-4-amine;6-N-butyl-4-N,4-N,6-N,2-tetramethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;N-butyl-N,2,5-trimethyl-6-methylimino-1,2-dihydro-1,3,5-triazin-4-amine;6-ethylimino-N,N,2,5-tetramethyl-1,2-dihydro-1,3,5-triazin-4-amine;6-N-ethyl-4-N,4-N,6-N,2-tetramethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;4-N,4-N,6-N,2-tetramethyl-6-N-pentyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;N,N,2,5-tetramethyl-6-pentylimino-1,2-dihydro-1,3,5-triazin-4-amine;4-N,4-N,6-N,2-tetramethyl-6-N-propyl-1,2-dihydro-1,3,5-triazine-4,6-diamine;N,N,2,5-tetramethyl-6-propylimino-1,2-dihydro-1,3,5-triazin-4-amine;N,2,5-trimethyl-6-methylimino-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine
CID 176543073
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
N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 58281251
6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176533742
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
2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine
CID 176518175
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-[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
4-methyl-6-N,6-N-bis(trideuteriomethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride
CID 76974536
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
N,N,2-trimethyl-6-(thiophen-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136590974

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(C)C1=NC(N(C)CCCCN(C)C2=NC(C)N=C(N(C)C)N2)=NC(C)N1.
What is the InChIKey of 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?
The InChIKey is CLTNHZNQJDOQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N10/c1-9-27(6)17-21-15(3)23-19(25-17)29(8)13-11-10-12-28(7)18-22-14(2)20-16(24-18)26(4)5/h14-15H,9-13H2,1-8H3,(H,20,22,24)(H,21,23,25).
What are the key properties of 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?
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 has a molecular weight of 406.58 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176539765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).