2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine

C15H18FN3 — CID 116903120

IUPAC2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine
SMILESCCC(CN)c1nccc(-c2ccc(F)c(C)c2)n1
InChIInChI=1S/C15H18FN3/c1-3-11(9-17)15-18-7-6-14(19-15)12-4-5-13(16)10(2)8-12/h4-8,11H,3,9,17H2,1-2H3
InChIKeyJMFZDEJLBJLBMZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.04
Rot. Bonds4

About 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine

2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine (PubChem CID 116903120) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine
PubChem CID116903120
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine
SMILESCCC(CN)c1nccc(-c2ccc(F)c(C)c2)n1
InChIInChI=1S/C15H18FN3/c1-3-11(9-17)15-18-7-6-14(19-15)12-4-5-13(16)10(2)8-12/h4-8,11H,3,9,17H2,1-2H3
InChIKeyJMFZDEJLBJLBMZ-UHFFFAOYSA-N
XLogP3.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol
CID 116903072
2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol
CID 116902253
2-(2-chloroethyl)-4-(4-fluoro-3-methylphenyl)pyrimidine
CID 116899332
2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]butan-1-amine
CID 116903124
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine
CID 116897750
2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine
CID 62745029
2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116896429
[6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine
CID 83849216
3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116903207
4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine
CID 96668438
2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine
CID 116903413
2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine
CID 123462970

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine (CID 116903120) is 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine is CCC(CN)c1nccc(-c2ccc(F)c(C)c2)n1.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The InChIKey is JMFZDEJLBJLBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-3-11(9-17)15-18-7-6-14(19-15)12-4-5-13(16)10(2)8-12/h4-8,11H,3,9,17H2,1-2H3.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine?
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine has a molecular weight of 259.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine is sourced from PubChem (CID 116903120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).