N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine

C14H13F4N3 — CID 106769220

IUPACN-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(F)cc2C)nc(C(F)(F)F)n1
InChIInChI=1S/C14H13F4N3/c1-3-19-12-7-11(20-13(21-12)14(16,17)18)10-5-4-9(15)6-8(10)2/h4-7H,3H2,1-2H3,(H,19,20,21)
InChIKeyRKGONXSHCMIMPG-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.04
Rot. Bonds3

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

N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769220) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769220
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC NameN-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(F)cc2C)nc(C(F)(F)F)n1
InChIInChI=1S/C14H13F4N3/c1-3-19-12-7-11(20-13(21-12)14(16,17)18)10-5-4-9(15)6-8(10)2/h4-7H,3H2,1-2H3,(H,19,20,21)
InChIKeyRKGONXSHCMIMPG-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769352
6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769215
6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769597
N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769320
N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716549
N-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 102754120
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
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
CID 80936764
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-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769220) is N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(-c2ccc(F)cc2C)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RKGONXSHCMIMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c1-3-19-12-7-11(20-13(21-12)14(16,17)18)10-5-4-9(15)6-8(10)2/h4-7H,3H2,1-2H3,(H,19,20,21).
What are the key properties of N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 299.27 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-fluoro-2-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).