2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

C27H38N6 — CID 59839524

IUPAC2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCCC)c1nc(N(C)c2ccc(C)cc2)nc(N(C)c2ccc(C)cc2)n1
InChIInChI=1S/C27H38N6/c1-7-9-19-33(20-10-8-2)27-29-25(31(5)23-15-11-21(3)12-16-23)28-26(30-27)32(6)24-17-13-22(4)14-18-24/h11-18H,7-10,19-20H2,1-6H3
InChIKeyPRPQJRACCYNYGJ-UHFFFAOYSA-N
MW446.64 g/mol
LogP6.43
Rot. Bonds11

About 2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 59839524) has the molecular formula C27H38N6 and a molecular weight of 446.64 g/mol. Its IUPAC name is 2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID59839524
Molecular FormulaC27H38N6
Molecular Weight446.64 g/mol
Exact Mass446.32
IUPAC Name2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCCC)c1nc(N(C)c2ccc(C)cc2)nc(N(C)c2ccc(C)cc2)n1
InChIInChI=1S/C27H38N6/c1-7-9-19-33(20-10-8-2)27-29-25(31(5)23-15-11-21(3)12-16-23)28-26(30-27)32(6)24-17-13-22(4)14-18-24/h11-18H,7-10,19-20H2,1-6H3
InChIKeyPRPQJRACCYNYGJ-UHFFFAOYSA-N
XLogP6.43
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 59839524) is 2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is CCCCN(CCCC)c1nc(N(C)c2ccc(C)cc2)nc(N(C)c2ccc(C)cc2)n1.
What is the InChIKey of 2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PRPQJRACCYNYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6/c1-7-9-19-33(20-10-8-2)27-29-25(31(5)23-15-11-21(3)12-16-23)28-26(30-27)32(6)24-17-13-22(4)14-18-24/h11-18H,7-10,19-20H2,1-6H3.
What are the key properties of 2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 446.64 g/mol, XLogP of 6.43, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibutyl-4-N,6-N-dimethyl-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59839524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).