2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine

C12H10Cl3FN4 — CID 80760195

IUPAC2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(Nc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C12H10Cl3FN4/c1-2-17-12-18-5-9(16)11(20-12)19-10-4-7(14)6(13)3-8(10)15/h3-5H,2H2,1H3,(H2,17,18,19,20)
InChIKeyYFCKKIYZFSXWGJ-UHFFFAOYSA-N
MW335.60 g/mol
LogP4.75
Rot. Bonds4

About 2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine

2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine (PubChem CID 80760195) has the molecular formula C12H10Cl3FN4 and a molecular weight of 335.60 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
PubChem CID80760195
Molecular FormulaC12H10Cl3FN4
Molecular Weight335.60 g/mol
Exact Mass334.00
IUPAC Name2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(Nc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C12H10Cl3FN4/c1-2-17-12-18-5-9(16)11(20-12)19-10-4-7(14)6(13)3-8(10)15/h3-5H,2H2,1H3,(H2,17,18,19,20)
InChIKeyYFCKKIYZFSXWGJ-UHFFFAOYSA-N
XLogP4.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.60
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759795
5-bromo-2-N-ethyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759727
4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80761361
4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80755406
4-N-(2-bromo-5-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 81271743
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760116
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 103587868
2-N-ethyl-5-fluoro-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80768448
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 107580670
4-N-(4-tert-butylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80736680
4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80762179

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine (CID 80760195) is 2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine is CCNc1ncc(F)c(Nc2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is YFCKKIYZFSXWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3FN4/c1-2-17-12-18-5-9(16)11(20-12)19-10-4-7(14)6(13)3-8(10)15/h3-5H,2H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 335.60 g/mol, XLogP of 4.75, 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-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80760195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).