2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine

C15H18FN3 — CID 116896424

IUPAC2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine
SMILESCCC(CN)c1nc(C)cc(-c2ccccc2F)n1
InChIInChI=1S/C15H18FN3/c1-3-11(9-17)15-18-10(2)8-14(19-15)12-6-4-5-7-13(12)16/h4-8,11H,3,9,17H2,1-2H3
InChIKeyFRPZRCOHMPHIEG-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.04
Rot. Bonds4

About 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine

2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine (PubChem CID 116896424) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine
PubChem CID116896424
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine
SMILESCCC(CN)c1nc(C)cc(-c2ccccc2F)n1
InChIInChI=1S/C15H18FN3/c1-3-11(9-17)15-18-10(2)8-14(19-15)12-6-4-5-7-13(12)16/h4-8,11H,3,9,17H2,1-2H3
InChIKeyFRPZRCOHMPHIEG-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-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116896429
2-amino-2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetic acid
CID 116895761
2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
CID 116895064
2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
CID 116897877
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116903120
1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
CID 55204515
2-(2,6-dimethyl-4-pyridinyl)butan-1-amine
CID 82409825
methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate
CID 116895174
2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol
CID 116896390
[2-(2-fluorophenyl)-6-methoxy-4-pyridinyl]methanamine
CID 105490755
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 62647488
2-(2,3-difluorophenyl)butan-1-amine
CID 130760393

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine?
The IUPAC name of 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine (CID 116896424) is 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine?
The canonical SMILES for 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine is CCC(CN)c1nc(C)cc(-c2ccccc2F)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine?
The InChIKey is FRPZRCOHMPHIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-3-11(9-17)15-18-10(2)8-14(19-15)12-6-4-5-7-13(12)16/h4-8,11H,3,9,17H2,1-2H3.
What are the key properties of 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine?
2-[4-(2-fluorophenyl)-6-methylpyrimidin-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-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine is sourced from PubChem (CID 116896424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).