4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine

C15H18F2N4 — CID 103587864

IUPAC4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(Nc2cc(F)c(C)cc2F)n1
InChIInChI=1S/C15H18F2N4/c1-4-5-18-15-19-8-10(3)14(21-15)20-13-7-11(16)9(2)6-12(13)17/h6-8H,4-5H2,1-3H3,(H2,18,19,20,21)
InChIKeyLZXWLUFYNHICFP-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.94
Rot. Bonds5

About 4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 103587864) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID103587864
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(Nc2cc(F)c(C)cc2F)n1
InChIInChI=1S/C15H18F2N4/c1-4-5-18-15-19-8-10(3)14(21-15)20-13-7-11(16)9(2)6-12(13)17/h6-8H,4-5H2,1-3H3,(H2,18,19,20,21)
InChIKeyLZXWLUFYNHICFP-UHFFFAOYSA-N
XLogP3.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 103587790
4-N-(2-fluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80754909
4-N-(2-fluoro-5-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80838232
4-N-(4-fluoro-3-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80824532
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 103587868
5-bromo-4-N-(4-bromo-2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107608351
4-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 107594445
5-fluoro-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 82683222
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 103586890
4-chloro-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80826124
5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800384
5-bromo-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761631

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine (CID 103587864) is 4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(Nc2cc(F)c(C)cc2F)n1.
What is the InChIKey of 4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is LZXWLUFYNHICFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-4-5-18-15-19-8-10(3)14(21-15)20-13-7-11(16)9(2)6-12(13)17/h6-8H,4-5H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 103587864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).