2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine

C17H24FN5 — CID 67605394

IUPAC2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CCCc1ccccc1)c1nc(N)nc(CC(C)F)n1
InChIInChI=1S/C17H24FN5/c1-3-23(11-7-10-14-8-5-4-6-9-14)17-21-15(12-13(2)18)20-16(19)22-17/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyFZYAOAHEPRJGEH-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.81
Rot. Bonds8

About 2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine

2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 67605394) has the molecular formula C17H24FN5 and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID67605394
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC Name2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CCCc1ccccc1)c1nc(N)nc(CC(C)F)n1
InChIInChI=1S/C17H24FN5/c1-3-23(11-7-10-14-8-5-4-6-9-14)17-21-15(12-13(2)18)20-16(19)22-17/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyFZYAOAHEPRJGEH-UHFFFAOYSA-N
XLogP2.81
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-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

4-Benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (13)
CID 121238069
2-Benzylamino-4-methyl-6-trifluoromethyl-1,3,5-triazine
CID 15857810
6-Benzyl-1,3,5-triazine-2,4-diamine
CID 15819
N2-(2-Phenylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 200798
N,N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 1248583
4-(4-Fluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645146
4-[(E)-2-(3-methylphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 122194625
4-(Cyclohexylamino)-6-(2-phenylethylamino)-1,3,5-triazine-2-carbonitrile
CID 134147121
4-[(3-Fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137637698
4-[(4-Fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137642284
4-[(3-Methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137645924
4-[(2-Fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137651282

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine (CID 67605394) is 2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine is CCN(CCCc1ccccc1)c1nc(N)nc(CC(C)F)n1.
What is the InChIKey of 2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FZYAOAHEPRJGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5/c1-3-23(11-7-10-14-8-5-4-6-9-14)17-21-15(12-13(2)18)20-16(19)22-17/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine?
2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 317.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-(2-fluoropropyl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67605394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).