4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine

C17H26N6 — CID 101120334

IUPAC4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(N)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H26N6/c1-5-6-11-19-15-21-14(18)22-16(23-15)20-13-9-7-12(8-10-13)17(2,3)4/h7-10H,5-6,11H2,1-4H3,(H4,18,19,20,21,22,23)
InChIKeyVJFWJOFIRDGQJG-UHFFFAOYSA-N
MW314.44 g/mol
LogP3.71
Rot. Bonds6

About 4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine

4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 101120334) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID101120334
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(N)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H26N6/c1-5-6-11-19-15-21-14(18)22-16(23-15)20-13-9-7-12(8-10-13)17(2,3)4/h7-10H,5-6,11H2,1-4H3,(H4,18,19,20,21,22,23)
InChIKeyVJFWJOFIRDGQJG-UHFFFAOYSA-N
XLogP3.71
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-(4-anilinophenyl)-4-N-hexadecyl-1,3,5-triazine-2,4,6-triamine
CID 110189277
2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
2-[[4-amino-6-[4-[tris[4-[[4-(2-acetyloxyethylamino)-6-amino-1,3,5-triazin-2-yl]amino]phenyl]methyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl acetate
CID 139180800
5-N-butyl-3-N-(4-tert-butylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939983
2-N-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 25242682
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
6-N-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172
2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 58722838
4-[[4-(dodecylamino)-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 154115477
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
6-chloro-4-N-hexyl-2-N-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
CID 5124094

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 101120334) is 4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine is CCCCNc1nc(N)nc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VJFWJOFIRDGQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-5-6-11-19-15-21-14(18)22-16(23-15)20-13-9-7-12(8-10-13)17(2,3)4/h7-10H,5-6,11H2,1-4H3,(H4,18,19,20,21,22,23).
What are the key properties of 4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine?
4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 314.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 101120334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).