6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

C13H10Cl2F3N3 — CID 106769215

IUPAC6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2cc(Cl)ccc2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3/c1-2-19-11-6-10(20-12(21-11)13(16,17)18)8-5-7(14)3-4-9(8)15/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyBTMICAVTSDBCJA-UHFFFAOYSA-N
MW336.14 g/mol
LogP4.90
Rot. Bonds3

About 6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769215) has the molecular formula C13H10Cl2F3N3 and a molecular weight of 336.14 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769215
Molecular FormulaC13H10Cl2F3N3
Molecular Weight336.14 g/mol
Exact Mass335.02
IUPAC Name6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2cc(Cl)ccc2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3/c1-2-19-11-6-10(20-12(21-11)13(16,17)18)8-5-7(14)3-4-9(8)15/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyBTMICAVTSDBCJA-UHFFFAOYSA-N
XLogP4.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769220
N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769352
2-(2,5-dichlorophenyl)-N-ethylpyridin-4-amine
CID 102824638
6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769719
2-tert-butyl-4-chloro-6-(2,5-dichlorophenyl)pyrimidine
CID 80953036
6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 105396158
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
6-N-(4-chlorophenyl)-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717083
N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769320

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769215) is 6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(-c2cc(Cl)ccc2Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BTMICAVTSDBCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3/c1-2-19-11-6-10(20-12(21-11)13(16,17)18)8-5-7(14)3-4-9(8)15/h3-6H,2H2,1H3,(H,19,20,21).
What are the key properties of 6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 336.14 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).