2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine

C20H31N5 — CID 10617227

IUPAC2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(C)nc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C20H31N5/c1-6-8-12-25(13-9-7-2)20-22-17(5)21-19(24-20)23-18-11-10-15(3)14-16(18)4/h10-11,14H,6-9,12-13H2,1-5H3,(H,21,22,23,24)
InChIKeyNELQVAZWXSSHGE-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.95
Rot. Bonds9

About 2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine

2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 10617227) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID10617227
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(C)nc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C20H31N5/c1-6-8-12-25(13-9-7-2)20-22-17(5)21-19(24-20)23-18-11-10-15(3)14-16(18)4/h10-11,14H,6-9,12-13H2,1-5H3,(H,21,22,23,24)
InChIKeyNELQVAZWXSSHGE-UHFFFAOYSA-N
XLogP4.95
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine (CID 10617227) is 2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine is CCCCN(CCCC)c1nc(C)nc(Nc2ccc(C)cc2C)n1.
What is the InChIKey of 2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NELQVAZWXSSHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-6-8-12-25(13-9-7-2)20-22-17(5)21-19(24-20)23-18-11-10-15(3)14-16(18)4/h10-11,14H,6-9,12-13H2,1-5H3,(H,21,22,23,24).
What are the key properties of 2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 341.50 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10617227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).