2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine

C13H13F3N4 — CID 80825104

IUPAC2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C13H13F3N4/c1-3-17-13-18-6-7(2)12(20-13)19-8-4-9(14)11(16)10(15)5-8/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyQDHGCCZLPYGVIJ-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.38
Rot. Bonds4

About 2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine (PubChem CID 80825104) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
PubChem CID80825104
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C13H13F3N4/c1-3-17-13-18-6-7(2)12(20-13)19-8-4-9(14)11(16)10(15)5-8/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyQDHGCCZLPYGVIJ-UHFFFAOYSA-N
XLogP3.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-bromo-3-fluorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80843555
4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 103587790
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 107580670
2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759795
4-N-(4-fluoro-3-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80824532
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760884
4-N-(2,5-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80763434
5-chloro-2-N-ethyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647139
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
5-bromo-2-N-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825733
4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80761361
2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80792497

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine (CID 80825104) is 2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine is CCNc1ncc(C)c(Nc2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is QDHGCCZLPYGVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-3-17-13-18-6-7(2)12(20-13)19-8-4-9(14)11(16)10(15)5-8/h4-6H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 282.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80825104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).