2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine

C13H13F3N4 — CID 80933910

IUPAC2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C13H13F3N4/c1-3-9-19-10(17-2)6-11(20-9)18-8-5-4-7(14)12(15)13(8)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyAEYZPDZZDPGSQJ-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.24
Rot. Bonds4

About 2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine

2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (PubChem CID 80933910) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
PubChem CID80933910
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C13H13F3N4/c1-3-9-19-10(17-2)6-11(20-9)18-8-5-4-7(14)12(15)13(8)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyAEYZPDZZDPGSQJ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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

6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80940244
4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933034
6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80956479
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 81272386
6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 82827615
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
4-N-(2,3-dimethylphenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934005
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934939
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584
2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934372
2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80933993

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (CID 80933910) is 2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is CCc1nc(NC)cc(Nc2ccc(F)c(F)c2F)n1.
What is the InChIKey of 2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is AEYZPDZZDPGSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-3-9-19-10(17-2)6-11(20-9)18-8-5-4-7(14)12(15)13(8)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 282.27 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).