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

C17H26N6O — CID 166382170

IUPAC2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCOc1cc(C)ccc1CNc1nc(N)nc(N)n1
InChIInChI=1S/C17H26N6O/c1-3-4-5-6-9-24-14-10-12(2)7-8-13(14)11-20-17-22-15(18)21-16(19)23-17/h7-8,10H,3-6,9,11H2,1-2H3,(H5,18,19,20,21,22,23)
InChIKeyNWENFHNSIIUPRO-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.92
Rot. Bonds9

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

2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 166382170) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID166382170
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCOc1cc(C)ccc1CNc1nc(N)nc(N)n1
InChIInChI=1S/C17H26N6O/c1-3-4-5-6-9-24-14-10-12(2)7-8-13(14)11-20-17-22-15(18)21-16(19)23-17/h7-8,10H,3-6,9,11H2,1-2H3,(H5,18,19,20,21,22,23)
InChIKeyNWENFHNSIIUPRO-UHFFFAOYSA-N
XLogP2.92
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine 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

5-fluoro-2-N-[(2-hexoxy-4-methylphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 166382161
6-fluoro-N-[(2-hexoxy-4-methylphenyl)methyl]pyrimidin-4-amine
CID 167835773
N-[(2-hexoxy-4-methylphenyl)methyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
CID 166382202
N-[(2-hexoxy-4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166382187
7-fluoro-N-[(4-methyl-2-pentoxyphenyl)methyl]quinolin-2-amine
CID 166247536
7-[(2-hexoxy-4-methylphenyl)methylamino]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 166382150
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
1,4-dimethyl-2-pentoxybenzene
CID 59184214
4-methyl-2-tetradecoxyphenol
CID 19014152
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80790129
4-methyl-2-pentoxybenzenesulfonamide
CID 50876723

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 166382170) is 2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine is CCCCCCOc1cc(C)ccc1CNc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NWENFHNSIIUPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-3-4-5-6-9-24-14-10-12(2)7-8-13(14)11-20-17-22-15(18)21-16(19)23-17/h7-8,10H,3-6,9,11H2,1-2H3,(H5,18,19,20,21,22,23).
What are the key properties of 2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 330.44 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-hexoxy-4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 166382170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).