6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C14H13F4N3 — CID 103867430

IUPAC6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2cccc(C(F)(F)F)c2)c1F
InChIInChI=1S/C14H13F4N3/c1-2-11-12(15)13(21-8-20-11)19-7-9-4-3-5-10(6-9)14(16,17)18/h3-6,8H,2,7H2,1H3,(H,19,20,21)
InChIKeyUEZSOUZOWWZLSD-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.81
Rot. Bonds4

About 6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 103867430) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID103867430
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2cccc(C(F)(F)F)c2)c1F
InChIInChI=1S/C14H13F4N3/c1-2-11-12(15)13(21-8-20-11)19-7-9-4-3-5-10(6-9)14(16,17)18/h3-6,8H,2,7H2,1H3,(H,19,20,21)
InChIKeyUEZSOUZOWWZLSD-UHFFFAOYSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 63729574
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 133418607
7-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 142682778
6-chloro-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,5-diamine
CID 62663421
6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine
CID 133422610
6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133418376
6-ethyl-5-fluoro-N-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]pyrimidin-4-amine
CID 51356134
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol
CID 133495880
6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 101365146
N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045758
2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 62809900
4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide
CID 66762390

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 103867430) is 6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is CCc1ncnc(NCc2cccc(C(F)(F)F)c2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is UEZSOUZOWWZLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c1-2-11-12(15)13(21-8-20-11)19-7-9-4-3-5-10(6-9)14(16,17)18/h3-6,8H,2,7H2,1H3,(H,19,20,21).
What are the key properties of 6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 299.27 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 103867430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).