6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H15ClFN5 — CID 105396066

IUPAC6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(-c2cc(F)ccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C13H15ClFN5/c1-4-16-12-17-11(18-13(19-12)20(2)3)9-7-8(15)5-6-10(9)14/h5-7H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyAZSDBQMMWXGKPS-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.83
Rot. Bonds4

About 6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 105396066) has the molecular formula C13H15ClFN5 and a molecular weight of 295.75 g/mol. Its IUPAC name is 6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID105396066
Molecular FormulaC13H15ClFN5
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC Name6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(-c2cc(F)ccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C13H15ClFN5/c1-4-16-12-17-11(18-13(19-12)20(2)3)9-7-8(15)5-6-10(9)14/h5-7H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyAZSDBQMMWXGKPS-UHFFFAOYSA-N
XLogP2.83
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-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

Irsogladine
CID 3752
6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 97399
4-(2-Chlorophenyl)-6-(Methylsulfanyl)-1,3,5-Triazin-2-Amine
CID 12571204
6-(3-chlorophenyl)-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
CID 117817534
6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 20612
6-(2,4-Dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852433
4-(4-Chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645147
4-(3-Chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645150
6-(3-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 308819
6-[2-Chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 23275234
N~2~,N~4~-Diethyl-6-phenyl-1,3,5-triazine-2,4-diamine
CID 16081
2-N,4-N-bis(but-3-enyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 117817328

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 105396066) is 6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(-c2cc(F)ccc2Cl)nc(N(C)C)n1.
What is the InChIKey of 6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AZSDBQMMWXGKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5/c1-4-16-12-17-11(18-13(19-12)20(2)3)9-7-8(15)5-6-10(9)14/h5-7H,4H2,1-3H3,(H,16,17,18,19).
What are the key properties of 6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 295.75 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluorophenyl)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 105396066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).