N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine

C15H16F3N3 — CID 106769352

IUPACN-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(CC)cc2)nc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3/c1-3-10-5-7-11(8-6-10)12-9-13(19-4-2)21-14(20-12)15(16,17)18/h5-9H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyQPXQVLDETRRJLV-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.16
Rot. Bonds4

About N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769352) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769352
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(CC)cc2)nc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3/c1-3-10-5-7-11(8-6-10)12-9-13(19-4-2)21-14(20-12)15(16,17)18/h5-9H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyQPXQVLDETRRJLV-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769320
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769168
N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821862
N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769220
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554
6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769215
4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903666
6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769719
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769352) is N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(-c2ccc(CC)cc2)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QPXQVLDETRRJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-3-10-5-7-11(8-6-10)12-9-13(19-4-2)21-14(20-12)15(16,17)18/h5-9H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 295.31 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).