1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine

C13H14FN3 — CID 165485022

IUPAC1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C13H14FN3/c1-13(15,12-16-7-2-8-17-12)9-10-3-5-11(14)6-4-10/h2-8H,9,15H2,1H3
InChIKeyPTXLJPJRNRLIGE-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.03
Rot. Bonds3

About 1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine

1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine (PubChem CID 165485022) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine
PubChem CID165485022
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C13H14FN3/c1-13(15,12-16-7-2-8-17-12)9-10-3-5-11(14)6-4-10/h2-8H,9,15H2,1H3
InChIKeyPTXLJPJRNRLIGE-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(3-methoxypyrazin-2-yl)propan-2-amine
CID 114833857
1-(4-fluorophenyl)-2-methyl-3-pyridin-4-ylpropan-2-amine
CID 114833720
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
1-(4-fluorophenyl)-2-quinolin-3-ylpropan-2-amine
CID 114833902
2-(4-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 60799223
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine
CID 114833794
2-(2-amino-3-pyridinyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833119
2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine
CID 114833839
2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine
CID 155036452
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine (CID 165485022) is 1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine is CC(N)(Cc1ccc(F)cc1)c1ncccn1.
What is the InChIKey of 1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine?
The InChIKey is PTXLJPJRNRLIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-13(15,12-16-7-2-8-17-12)9-10-3-5-11(14)6-4-10/h2-8H,9,15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine?
1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine has a molecular weight of 231.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine is sourced from PubChem (CID 165485022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).