2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine

C13H14FN3 — CID 105373657

IUPAC2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine
SMILESCc1ccc(F)cc1CC(N)c1ncccn1
InChIInChI=1S/C13H14FN3/c1-9-3-4-11(14)7-10(9)8-12(15)13-16-5-2-6-17-13/h2-7,12H,8,15H2,1H3
InChIKeyPYNKWAFXQZUZHU-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.17
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine

2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine (PubChem CID 105373657) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine
PubChem CID105373657
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine
SMILESCc1ccc(F)cc1CC(N)c1ncccn1
InChIInChI=1S/C13H14FN3/c1-9-3-4-11(14)7-10(9)8-12(15)13-16-5-2-6-17-13/h2-7,12H,8,15H2,1H3
InChIKeyPYNKWAFXQZUZHU-UHFFFAOYSA-N
XLogP2.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 105373741
2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 105373987
1-(2,6-dichlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376936
1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377287
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
2-(5-fluoro-2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 105373838
2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105377301
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377378
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine (CID 105373657) is 2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine is Cc1ccc(F)cc1CC(N)c1ncccn1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine?
The InChIKey is PYNKWAFXQZUZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-3-4-11(14)7-10(9)8-12(15)13-16-5-2-6-17-13/h2-7,12H,8,15H2,1H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine?
2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine has a molecular weight of 231.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 105373657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).