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

C18H20N6 — CID 2608348

IUPAC6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(CN(C)c2ccccc2)n1
InChIInChI=1S/C18H20N6/c1-13-8-6-7-11-15(13)20-18-22-16(21-17(19)23-18)12-24(2)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyYYFSOEJVXMMFHA-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.14
Rot. Bonds5

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

6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2608348) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2608348
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(CN(C)c2ccccc2)n1
InChIInChI=1S/C18H20N6/c1-13-8-6-7-11-15(13)20-18-22-16(21-17(19)23-18)12-24(2)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyYYFSOEJVXMMFHA-UHFFFAOYSA-N
XLogP3.14
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 2608348) is 6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccccc1Nc1nc(N)nc(CN(C)c2ccccc2)n1.
What is the InChIKey of 6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YYFSOEJVXMMFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-13-8-6-7-11-15(13)20-18-22-16(21-17(19)23-18)12-24(2)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 320.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2608348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).