6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C17H22N6 — CID 2574483

IUPAC6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCN(CC=C)Cc1nc(N)nc(Nc2ccccc2C)n1
InChIInChI=1S/C17H22N6/c1-4-10-23(11-5-2)12-15-20-16(18)22-17(21-15)19-14-9-7-6-8-13(14)3/h4-9H,1-2,10-12H2,3H3,(H3,18,19,20,21,22)
InChIKeyMOSKPSCMGVVJRE-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.68
Rot. Bonds8

About 6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2574483) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2574483
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCN(CC=C)Cc1nc(N)nc(Nc2ccccc2C)n1
InChIInChI=1S/C17H22N6/c1-4-10-23(11-5-2)12-15-20-16(18)22-17(21-15)19-14-9-7-6-8-13(14)3/h4-9H,1-2,10-12H2,3H3,(H3,18,19,20,21,22)
InChIKeyMOSKPSCMGVVJRE-UHFFFAOYSA-N
XLogP2.68
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-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

6-(chloromethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 933293
6-(chloromethyl)-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 935910
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908
6-(Chloromethyl)-N~2~-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 936364
6-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 3725036
4-(Ethylamino)-6-(phenylamino)-1,3,5-triazine-2-carbonitrile
CID 778602
N2,N2-dimethyl-N4-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
CID 71584599
6-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-N-phenyl-1,3,5-triazine-2,4-diamine
CID 939226
4-N,4-N,6-trimethyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 1506247
2-N-(4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 666466
4-(3,4-dihydroquinolin-1(2H)-yl)-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3,5-triazin-2-amine
CID 1500644

Frequently Asked Questions

What is the IUPAC name of 6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 2574483) is 6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is C=CCN(CC=C)Cc1nc(N)nc(Nc2ccccc2C)n1.
What is the InChIKey of 6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MOSKPSCMGVVJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-4-10-23(11-5-2)12-15-20-16(18)22-17(21-15)19-14-9-7-6-8-13(14)3/h4-9H,1-2,10-12H2,3H3,(H3,18,19,20,21,22).
What are the key properties of 6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 310.41 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[bis(prop-2-enyl)amino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2574483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).