6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C19H21ClN6 — CID 2443410

IUPAC6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccccc2Cl)n1
InChIInChI=1S/C19H21ClN6/c1-13-7-3-6-10-16(13)22-19-24-17(23-18(21)25-19)12-26(2)11-14-8-4-5-9-15(14)20/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyRQLJXERUHJDFLW-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.79
Rot. Bonds6

About 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2443410) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2443410
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccccc2Cl)n1
InChIInChI=1S/C19H21ClN6/c1-13-7-3-6-10-16(13)22-19-24-17(23-18(21)25-19)12-26(2)11-14-8-4-5-9-15(14)20/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyRQLJXERUHJDFLW-UHFFFAOYSA-N
XLogP3.79
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 2443410) is 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccccc2Cl)n1.
What is the InChIKey of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RQLJXERUHJDFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c1-13-7-3-6-10-16(13)22-19-24-17(23-18(21)25-19)12-26(2)11-14-8-4-5-9-15(14)20/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2443410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).