5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine

C17H21FN4 — CID 110094374

IUPAC5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccccc2F)c(C2CCNCC2)n1
InChIInChI=1S/C17H21FN4/c1-22(2)17-20-11-14(13-5-3-4-6-15(13)18)16(21-17)12-7-9-19-10-8-12/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyZKJLWAVZOMOLKN-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.82
Rot. Bonds3

About 5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine

5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine (PubChem CID 110094374) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine
PubChem CID110094374
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccccc2F)c(C2CCNCC2)n1
InChIInChI=1S/C17H21FN4/c1-22(2)17-20-11-14(13-5-3-4-6-15(13)18)16(21-17)12-7-9-19-10-8-12/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyZKJLWAVZOMOLKN-UHFFFAOYSA-N
XLogP2.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine (CID 110094374) is 5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine is CN(C)c1ncc(-c2ccccc2F)c(C2CCNCC2)n1.
What is the InChIKey of 5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is ZKJLWAVZOMOLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-22(2)17-20-11-14(13-5-3-4-6-15(13)18)16(21-17)12-7-9-19-10-8-12/h3-6,11-12,19H,7-10H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine?
5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 300.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 110094374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).