2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine

C15H21N5O — CID 625492

IUPAC2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCOc1ccc(CN(C)c2ncnc(N)n2)cc1
InChIInChI=1S/C15H21N5O/c1-3-4-9-21-13-7-5-12(6-8-13)10-20(2)15-18-11-17-14(16)19-15/h5-8,11H,3-4,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeySJAMTEGGBOTKID-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.27
Rot. Bonds7

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

2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 625492) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID625492
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCOc1ccc(CN(C)c2ncnc(N)n2)cc1
InChIInChI=1S/C15H21N5O/c1-3-4-9-21-13-7-5-12(6-8-13)10-20(2)15-18-11-17-14(16)19-15/h5-8,11H,3-4,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeySJAMTEGGBOTKID-UHFFFAOYSA-N
XLogP2.27
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 6483813
butyl N-(4-amino-1,3,5-triazin-2-yl)-N-butoxycarbonylcarbamate
CID 18678385
1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280482
2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 165354953
5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71377421
5-[(4-heptoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10335810
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine
CID 113285685
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
5-butoxy-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 21412792
2-N,4-N,4-N-trimethyl-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80764929

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 625492) is 2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine is CCCCOc1ccc(CN(C)c2ncnc(N)n2)cc1.
What is the InChIKey of 2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SJAMTEGGBOTKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-4-9-21-13-7-5-12(6-8-13)10-20(2)15-18-11-17-14(16)19-15/h5-8,11H,3-4,9-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 625492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).