2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine

C15H21N5O2 — CID 5070075

IUPAC2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCOCNc1nc(NCOCC)nc(-c2ccccc2)n1
InChIInChI=1S/C15H21N5O2/c1-3-21-10-16-14-18-13(12-8-6-5-7-9-12)19-15(20-14)17-11-22-4-2/h5-9H,3-4,10-11H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyJWSPPKHFHSNQQU-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.35
Rot. Bonds9

About 2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 5070075) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID5070075
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCOCNc1nc(NCOCC)nc(-c2ccccc2)n1
InChIInChI=1S/C15H21N5O2/c1-3-21-10-16-14-18-13(12-8-6-5-7-9-12)19-15(20-14)17-11-22-4-2/h5-9H,3-4,10-11H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyJWSPPKHFHSNQQU-UHFFFAOYSA-N
XLogP2.35
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine 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

ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine
CID 158198632
4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 59931591
2-N-[(2-methylpropan-2-yl)oxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine
CID 66779718
N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
CID 21177324
N-(2-ethoxyethyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 115916133
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine
CID 23928705
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 115915730
4-ethoxy-5-methyl-2,6-diphenylpyrimidine
CID 10946202
2-N,4-N-bis[3-(butylamino)phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine
CID 21331405

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine (CID 5070075) is 2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine is CCOCNc1nc(NCOCC)nc(-c2ccccc2)n1.
What is the InChIKey of 2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JWSPPKHFHSNQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-21-10-16-14-18-13(12-8-6-5-7-9-12)19-15(20-14)17-11-22-4-2/h5-9H,3-4,10-11H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 303.37 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5070075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).