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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Related Compounds

N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 175662742
4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92618206
[4-[2-(dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95836618
4-[1-(benzenesulfonyl)piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266464
[(3R)-3-[2-(dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92617503
4-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-(2-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 95836596
N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 124938721
5-(2-fluorophenyl)-N,N-dimethyl-4-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 92617570
[(3R)-3-[2-(dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 92617366
1-[3-[2-(dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110266666
3-[2-(dimethylamino)-4-pyrrolidin-3-ylpyrimidin-5-yl]benzamide;hydrochloride
CID 71298577
2-(2-fluorophenyl)-4-piperidin-4-yl-1,3-thiazole
CID 116888734

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).