4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine

C15H19FN4 — CID 80817893

IUPAC4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(N(C)c2ccc(C)cc2C)n1
InChIInChI=1S/C15H19FN4/c1-5-17-15-18-9-12(16)14(19-15)20(4)13-7-6-10(2)8-11(13)3/h6-9H,5H2,1-4H3,(H,17,18,19)
InChIKeyQIAKYWQYXWDBMI-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.43
Rot. Bonds4

About 4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine

4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80817893) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
PubChem CID80817893
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(N(C)c2ccc(C)cc2C)n1
InChIInChI=1S/C15H19FN4/c1-5-17-15-18-9-12(16)14(19-15)20(4)13-7-6-10(2)8-11(13)3/h6-9H,5H2,1-4H3,(H,17,18,19)
InChIKeyQIAKYWQYXWDBMI-UHFFFAOYSA-N
XLogP3.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-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-fluoro-4-N-methyl-4-N-(3-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80818504
4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 80818316
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760884
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80764683
2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817690
2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 79073469
2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794156
4-N-(2,5-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80763434
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781911
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
4-N-[1-(3-chlorophenyl)ethyl]-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80809659

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine (CID 80817893) is 4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine is CCNc1ncc(F)c(N(C)c2ccc(C)cc2C)n1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is QIAKYWQYXWDBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-5-17-15-18-9-12(16)14(19-15)20(4)13-7-6-10(2)8-11(13)3/h6-9H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80817893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).