4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C16H22N6O — CID 155562918

IUPAC4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1ccccc1OCc1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H22N6O/c1-12-5-3-4-6-13(12)23-11-14-18-15(17)20-16(19-14)22-9-7-21(2)8-10-22/h3-6H,7-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyWBEGSSSQQIUZRQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.09
Rot. Bonds4

About 4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 155562918) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID155562918
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1ccccc1OCc1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H22N6O/c1-12-5-3-4-6-13(12)23-11-14-18-15(17)20-16(19-14)22-9-7-21(2)8-10-22/h3-6H,7-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyWBEGSSSQQIUZRQ-UHFFFAOYSA-N
XLogP1.09
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide
CID 742235
4-[(4-Fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 729426
4-[(3-Methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137632931
4-[(4-Methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137655929
4-[(2-Methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137657740
4-(4-Methylpiperazin-1-yl)-6-(phenoxymethyl)-1,3,5-triazin-2-amine
CID 155531846
4-[(3-Chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155538814
4-(4-Methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine
CID 155542321
4-[(4-Chloro-3-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155544139
4-[(3-Methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155547693
4-[(4-Chloro-2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155558408
4-[(4-Methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155566439

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 155562918) is 4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is Cc1ccccc1OCc1nc(N)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is WBEGSSSQQIUZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-5-3-4-6-13(12)23-11-14-18-15(17)20-16(19-14)22-9-7-21(2)8-10-22/h3-6H,7-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 155562918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).