N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine

C16H19F3N4 — CID 72884771

IUPACN'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCN(CCNc1ccnc(C(F)(F)F)n1)c1cccc(C)c1
InChIInChI=1S/C16H19F3N4/c1-3-23(13-6-4-5-12(2)11-13)10-9-20-14-7-8-21-15(22-14)16(17,18)19/h4-8,11H,3,9-10H2,1-2H3,(H,20,21,22)
InChIKeyNTNGDYSYEMAAJB-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.74
Rot. Bonds6

About N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine

N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 72884771) has the molecular formula C16H19F3N4 and a molecular weight of 324.35 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID72884771
Molecular FormulaC16H19F3N4
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC NameN'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCN(CCNc1ccnc(C(F)(F)F)n1)c1cccc(C)c1
InChIInChI=1S/C16H19F3N4/c1-3-23(13-6-4-5-12(2)11-13)10-9-20-14-7-8-21-15(22-14)16(17,18)19/h4-8,11H,3,9-10H2,1-2H3,(H,20,21,22)
InChIKeyNTNGDYSYEMAAJB-UHFFFAOYSA-N
XLogP3.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407866
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 72918277
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol
CID 62623748
2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890009
2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112905566
N-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 133478423
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-ethyl-3-methylaniline
CID 91719512

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine (CID 72884771) is N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine is CCN(CCNc1ccnc(C(F)(F)F)n1)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is NTNGDYSYEMAAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4/c1-3-23(13-6-4-5-12(2)11-13)10-9-20-14-7-8-21-15(22-14)16(17,18)19/h4-8,11H,3,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine?
N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 324.35 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 72884771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).