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

C13H14ClF2N5 — CID 62863825

IUPAC6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H14ClF2N5/c1-21(2)13-19-11(14)18-12(20-13)17-4-3-8-5-9(15)7-10(16)6-8/h5-7H,3-4H2,1-2H3,(H,17,18,19,20)
InChIKeyYAIPTILXUOLPBZ-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.52
Rot. Bonds5

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

6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 62863825) has the molecular formula C13H14ClF2N5 and a molecular weight of 313.74 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID62863825
Molecular FormulaC13H14ClF2N5
Molecular Weight313.74 g/mol
Exact Mass313.09
IUPAC Name6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H14ClF2N5/c1-21(2)13-19-11(14)18-12(20-13)17-4-3-8-5-9(15)7-10(16)6-8/h5-7H,3-4H2,1-2H3,(H,17,18,19,20)
InChIKeyYAIPTILXUOLPBZ-UHFFFAOYSA-N
XLogP2.52
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 62858893
6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 62864756
6-chloro-4-N-(2,6-dichloro-4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83077703
6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106038174
6-chloro-2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114156731
6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865096
6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83088077
6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 62870223
6-chloro-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 55125138
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448450
6-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62980138

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 62863825) is 6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(NCCc2cc(F)cc(F)c2)n1.
What is the InChIKey of 6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YAIPTILXUOLPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2N5/c1-21(2)13-19-11(14)18-12(20-13)17-4-3-8-5-9(15)7-10(16)6-8/h5-7H,3-4H2,1-2H3,(H,17,18,19,20).
What are the key properties of 6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 313.74 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62863825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).