2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

C20H23N5 — CID 10854115

IUPAC2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1nc(C)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C20H23N5/c1-4-25(14-17-8-6-5-7-9-17)20-22-16(3)21-19(24-20)23-18-12-10-15(2)11-13-18/h5-13H,4,14H2,1-3H3,(H,21,22,23,24)
InChIKeyDVSFGMHNQXYWMO-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.26
Rot. Bonds6

About 2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10854115) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10854115
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1nc(C)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C20H23N5/c1-4-25(14-17-8-6-5-7-9-17)20-22-16(3)21-19(24-20)23-18-12-10-15(2)11-13-18/h5-13H,4,14H2,1-3H3,(H,21,22,23,24)
InChIKeyDVSFGMHNQXYWMO-UHFFFAOYSA-N
XLogP4.26
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 10854115) is 2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is CCN(Cc1ccccc1)c1nc(C)nc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DVSFGMHNQXYWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-4-25(14-17-8-6-5-7-9-17)20-22-16(3)21-19(24-20)23-18-12-10-15(2)11-13-18/h5-13H,4,14H2,1-3H3,(H,21,22,23,24).
What are the key properties of 2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 333.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10854115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).