4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine

C9H19N5 — CID 176533747

IUPAC4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
SMILESCCCCN(C)C1=NC(C)NC(N)=N1
InChIInChI=1S/C9H19N5/c1-4-5-6-14(3)9-12-7(2)11-8(10)13-9/h7H,4-6H2,1-3H3,(H3,10,11,12,13)
InChIKeySLICKMJONKGRFM-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.34
Rot. Bonds3

About 4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine

4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine (PubChem CID 176533747) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
PubChem CID176533747
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
SMILESCCCCN(C)C1=NC(C)NC(N)=N1
InChIInChI=1S/C9H19N5/c1-4-5-6-14(3)9-12-7(2)11-8(10)13-9/h7H,4-6H2,1-3H3,(H3,10,11,12,13)
InChIKeySLICKMJONKGRFM-UHFFFAOYSA-N
XLogP0.34
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-4-N,4-N-bis(trideuteriomethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine;hydrochloride
CID 176526025
6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176533742
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
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
2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine
CID 25223449
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
4-N-butyl-4-N-methylpyrimidine-2,4,6-triamine
CID 78982418
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
3-N-butyl-3-N-cyclopropyl-1H-1,2,4-triazole-3,5-diamine
CID 66275364
6-ethyl-2-N,4-N-dihexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 159008981
N-butyl-5-iodo-N-methylpyrimidin-2-amine
CID 115620517
4-N-butyl-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80753579

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine?
The IUPAC name of 4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine (CID 176533747) is 4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine is CCCCN(C)C1=NC(C)NC(N)=N1.
What is the InChIKey of 4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine?
The InChIKey is SLICKMJONKGRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-4-5-6-14(3)9-12-7(2)11-8(10)13-9/h7H,4-6H2,1-3H3,(H3,10,11,12,13).
What are the key properties of 4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine?
4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine has a molecular weight of 197.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N,2-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 176533747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).