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

C17H24N6O — CID 136557229

IUPAC4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine
SMILESCCOc1ccc(CN2CCN(c3nc(C)nc(N)n3)CC2)cc1
InChIInChI=1S/C17H24N6O/c1-3-24-15-6-4-14(5-7-15)12-22-8-10-23(11-9-22)17-20-13(2)19-16(18)21-17/h4-7H,3,8-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyRJIKPLYJPRMOBD-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.48
Rot. Bonds5

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

4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 136557229) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID136557229
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine
SMILESCCOc1ccc(CN2CCN(c3nc(C)nc(N)n3)CC2)cc1
InChIInChI=1S/C17H24N6O/c1-3-24-15-6-4-14(5-7-15)12-22-8-10-23(11-9-22)17-20-13(2)19-16(18)21-17/h4-7H,3,8-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyRJIKPLYJPRMOBD-UHFFFAOYSA-N
XLogP1.48
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(4-methoxyphenyl)-
CID 34921
N-Methyl-N-(4-propoxy-benzyl)-[1,3,5]triazine-2,4-diamine
CID 6483813
4-{[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]methyl}-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 1272711
6-[4-(4-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 745572
6-methyl-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393053
6-(4-Propoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 659117
6-(4-Ethoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 660448
6-[4-(2-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 790865
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-[(3-Methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155547693

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine (CID 136557229) is 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine is CCOc1ccc(CN2CCN(c3nc(C)nc(N)n3)CC2)cc1.
What is the InChIKey of 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is RJIKPLYJPRMOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-24-15-6-4-14(5-7-15)12-22-8-10-23(11-9-22)17-20-13(2)19-16(18)21-17/h4-7H,3,8-12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine?
4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 136557229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).