N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine

C16H20FN5 — CID 133343829

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine
SMILESCCc1cc(N2CCC(Nc3cccc(F)n3)CC2)ncn1
InChIInChI=1S/C16H20FN5/c1-2-12-10-16(19-11-18-12)22-8-6-13(7-9-22)20-15-5-3-4-14(17)21-15/h3-5,10-11,13H,2,6-9H2,1H3,(H,20,21)
InChIKeyHPFYIFAQSHRCFN-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.65
Rot. Bonds4

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine (PubChem CID 133343829) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine
PubChem CID133343829
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine
SMILESCCc1cc(N2CCC(Nc3cccc(F)n3)CC2)ncn1
InChIInChI=1S/C16H20FN5/c1-2-12-10-16(19-11-18-12)22-8-6-13(7-9-22)20-15-5-3-4-14(17)21-15/h3-5,10-11,13H,2,6-9H2,1H3,(H,20,21)
InChIKeyHPFYIFAQSHRCFN-UHFFFAOYSA-N
XLogP2.65
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine
CID 167824861
6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133358047
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 146128905
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine
CID 133343778
1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 71980333
3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 71980270
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133358064
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 127805061
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133358055
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
1-(6-ethylpyrimidin-4-yl)-N-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 133343808

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine (CID 133343829) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine is CCc1cc(N2CCC(Nc3cccc(F)n3)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine?
The InChIKey is HPFYIFAQSHRCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-2-12-10-16(19-11-18-12)22-8-6-13(7-9-22)20-15-5-3-4-14(17)21-15/h3-5,10-11,13H,2,6-9H2,1H3,(H,20,21).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine has a molecular weight of 301.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 133343829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).