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

C13H13Cl3N4 — CID 80759795

IUPAC2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(Nc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C13H13Cl3N4/c1-3-17-13-18-6-7(2)12(20-13)19-11-5-9(15)8(14)4-10(11)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyFPUVXUFJDVEMAR-UHFFFAOYSA-N
MW331.63 g/mol
LogP4.92
Rot. Bonds4

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

2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine (PubChem CID 80759795) has the molecular formula C13H13Cl3N4 and a molecular weight of 331.63 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
PubChem CID80759795
Molecular FormulaC13H13Cl3N4
Molecular Weight331.63 g/mol
Exact Mass330.02
IUPAC Name2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(Nc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C13H13Cl3N4/c1-3-17-13-18-6-7(2)12(20-13)19-11-5-9(15)8(14)4-10(11)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyFPUVXUFJDVEMAR-UHFFFAOYSA-N
XLogP4.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.63
LogP ≤ 54.92
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

5-bromo-2-N-ethyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759727
2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80760195
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
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
4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 103587790
4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 104725527
4-N-(4-bromo-2,3-dichlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 107794802
N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 104728727
2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825104
5-chloro-4-N-(2,5-dichloro-4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 104728637
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760116

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine (CID 80759795) is 2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine is CCNc1ncc(C)c(Nc2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is FPUVXUFJDVEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N4/c1-3-17-13-18-6-7(2)12(20-13)19-11-5-9(15)8(14)4-10(11)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 331.63 g/mol, XLogP of 4.92, 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-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80759795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).