6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C13H11ClF3N3 — CID 63735246

IUPAC6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11ClF3N3/c1-2-10-11(14)18-7-19-12(10)20-9-5-3-8(4-6-9)13(15,16)17/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyZEJHHVUBRGEMOS-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.45
Rot. Bonds3

About 6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 63735246) has the molecular formula C13H11ClF3N3 and a molecular weight of 301.70 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID63735246
Molecular FormulaC13H11ClF3N3
Molecular Weight301.70 g/mol
Exact Mass301.06
IUPAC Name6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11ClF3N3/c1-2-10-11(14)18-7-19-12(10)20-9-5-3-8(4-6-9)13(15,16)17/h3-7H,2H2,1H3,(H,18,19,20)
InChIKeyZEJHHVUBRGEMOS-UHFFFAOYSA-N
XLogP4.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
CID 63735092
6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729623
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 63729574
6-chloro-5-ethyl-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
CID 115564740
4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762731
N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 63735452
4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80760820
N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 107576834
6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63735080

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 63735246) is 6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is ZEJHHVUBRGEMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3/c1-2-10-11(14)18-7-19-12(10)20-9-5-3-8(4-6-9)13(15,16)17/h3-7H,2H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 301.70 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 63735246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).