5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine

C13H13ClF2N4 — CID 103587868

IUPAC5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(Nc2cc(F)c(C)cc2F)n1
InChIInChI=1S/C13H13ClF2N4/c1-3-17-13-18-6-8(14)12(20-13)19-11-5-9(15)7(2)4-10(11)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyOCSDPJROCGACPS-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.89
Rot. Bonds4

About 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine

5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 103587868) has the molecular formula C13H13ClF2N4 and a molecular weight of 298.72 g/mol. Its IUPAC name is 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID103587868
Molecular FormulaC13H13ClF2N4
Molecular Weight298.72 g/mol
Exact Mass298.08
IUPAC Name5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(Nc2cc(F)c(C)cc2F)n1
InChIInChI=1S/C13H13ClF2N4/c1-3-17-13-18-6-8(14)12(20-13)19-11-5-9(15)7(2)4-10(11)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyOCSDPJROCGACPS-UHFFFAOYSA-N
XLogP3.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592
4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 103587790
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 103587802
4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 103587864
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760116
5-chloro-2-N-ethyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647139
4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 104725527
5-chloro-4-N-(2,3-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80797692
2-N-ethyl-5-fluoro-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80760195
5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800384
2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759795
5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 80760360

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine (CID 103587868) is 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine is CCNc1ncc(Cl)c(Nc2cc(F)c(C)cc2F)n1.
What is the InChIKey of 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is OCSDPJROCGACPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N4/c1-3-17-13-18-6-8(14)12(20-13)19-11-5-9(15)7(2)4-10(11)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine?
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 298.72 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 103587868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).