4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine

C14H16FN5 — CID 167982712

IUPAC4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine
SMILESCN(c1nccc(-c2cc(N)ccc2F)n1)C1CNC1
InChIInChI=1S/C14H16FN5/c1-20(10-7-17-8-10)14-18-5-4-13(19-14)11-6-9(16)2-3-12(11)15/h2-6,10,17H,7-8,16H2,1H3
InChIKeyJSFGYECRZMRFNG-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.27
Rot. Bonds3

About 4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine

4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine (PubChem CID 167982712) has the molecular formula C14H16FN5 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine
PubChem CID167982712
Molecular FormulaC14H16FN5
Molecular Weight273.31 g/mol
Exact Mass273.14
IUPAC Name4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine
SMILESCN(c1nccc(-c2cc(N)ccc2F)n1)C1CNC1
InChIInChI=1S/C14H16FN5/c1-20(10-7-17-8-10)14-18-5-4-13(19-14)11-6-9(16)2-3-12(11)15/h2-6,10,17H,7-8,16H2,1H3
InChIKeyJSFGYECRZMRFNG-UHFFFAOYSA-N
XLogP1.27
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine (CID 167982712) is 4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine is CN(c1nccc(-c2cc(N)ccc2F)n1)C1CNC1.
What is the InChIKey of 4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine?
The InChIKey is JSFGYECRZMRFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5/c1-20(10-7-17-8-10)14-18-5-4-13(19-14)11-6-9(16)2-3-12(11)15/h2-6,10,17H,7-8,16H2,1H3.
What are the key properties of 4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine?
4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine has a molecular weight of 273.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-fluorophenyl)-N-(azetidin-3-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 167982712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).