6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine

C13H10Cl2F3N3 — CID 63735092

IUPAC6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H10Cl2F3N3/c1-2-8-11(15)19-6-20-12(8)21-10-5-7(13(16,17)18)3-4-9(10)14/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyASUMIOLUGOBGEA-UHFFFAOYSA-N
MW336.14 g/mol
LogP5.11
Rot. Bonds3

About 6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine

6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine (PubChem CID 63735092) has the molecular formula C13H10Cl2F3N3 and a molecular weight of 336.14 g/mol. Its IUPAC name is 6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
PubChem CID63735092
Molecular FormulaC13H10Cl2F3N3
Molecular Weight336.14 g/mol
Exact Mass335.02
IUPAC Name6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H10Cl2F3N3/c1-2-8-11(15)19-6-20-12(8)21-10-5-7(13(16,17)18)3-4-9(10)14/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyASUMIOLUGOBGEA-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.14
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine
CID 107637059
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246
6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 63729574
4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541308
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 22541138
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N,4-N-diethyl-5-nitropyrimidine-4,6-diamine
CID 23479615
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 22541281
6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
CID 55228721
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22541228
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22541112
6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729623
3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine
CID 106876475

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine (CID 63735092) is 6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine?
The InChIKey is ASUMIOLUGOBGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3/c1-2-8-11(15)19-6-20-12(8)21-10-5-7(13(16,17)18)3-4-9(10)14/h3-6H,2H2,1H3,(H,19,20,21).
What are the key properties of 6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine?
6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine has a molecular weight of 336.14 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 63735092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).