1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine

C17H21FN4 — CID 133330878

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
SMILESCc1cc(N2CCC(Nc3ccccc3F)CC2)nc(C)n1
InChIInChI=1S/C17H21FN4/c1-12-11-17(20-13(2)19-12)22-9-7-14(8-10-22)21-16-6-4-3-5-15(16)18/h3-6,11,14,21H,7-10H2,1-2H3
InChIKeyDGJYJLNXICVAPM-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.31
Rot. Bonds3

About 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine

1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine (PubChem CID 133330878) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
PubChem CID133330878
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
SMILESCc1cc(N2CCC(Nc3ccccc3F)CC2)nc(C)n1
InChIInChI=1S/C17H21FN4/c1-12-11-17(20-13(2)19-12)22-9-7-14(8-10-22)21-16-6-4-3-5-15(16)18/h3-6,11,14,21H,7-10H2,1-2H3
InChIKeyDGJYJLNXICVAPM-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-3-fluorobenzonitrile
CID 133336170
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine
CID 133336114
4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-3,5-difluorobenzonitrile
CID 133336137
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 122141204
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
1-(2,6-dimethylpyrimidin-4-yl)-N-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 133336149
2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133336053
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860
N-cyclopropyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907585
2-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]benzonitrile
CID 126841981
1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193622

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine (CID 133330878) is 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine is Cc1cc(N2CCC(Nc3ccccc3F)CC2)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine?
The InChIKey is DGJYJLNXICVAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-12-11-17(20-13(2)19-12)22-9-7-14(8-10-22)21-16-6-4-3-5-15(16)18/h3-6,11,14,21H,7-10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine has a molecular weight of 300.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 133330878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).