2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine

C19H30N6 — CID 44525617

IUPAC2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NCc2c(C)cccc2C)nc(NC(C)(C)C)n1
InChIInChI=1S/C19H30N6/c1-7-11-20-16-22-17(24-18(23-16)25-19(4,5)6)21-12-15-13(2)9-8-10-14(15)3/h8-10H,7,11-12H2,1-6H3,(H3,20,21,22,23,24,25)
InChIKeyXFXXABQNZQAZEM-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.13
Rot. Bonds7

About 2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine

2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 44525617) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID44525617
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NCc2c(C)cccc2C)nc(NC(C)(C)C)n1
InChIInChI=1S/C19H30N6/c1-7-11-20-16-22-17(24-18(23-16)25-19(4,5)6)21-12-15-13(2)9-8-10-14(15)3/h8-10H,7,11-12H2,1-6H3,(H3,20,21,22,23,24,25)
InChIKeyXFXXABQNZQAZEM-UHFFFAOYSA-N
XLogP4.13
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 44525617) is 2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(NCc2c(C)cccc2C)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XFXXABQNZQAZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-7-11-20-16-22-17(24-18(23-16)25-19(4,5)6)21-12-15-13(2)9-8-10-14(15)3/h8-10H,7,11-12H2,1-6H3,(H3,20,21,22,23,24,25).
What are the key properties of 2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 342.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 44525617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).