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

C21H25N5O — CID 167824861

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine
SMILESCCc1cc(N2CCC(Nc3ccc4cc(OC)ccc4n3)CC2)ncn1
InChIInChI=1S/C21H25N5O/c1-3-16-13-21(23-14-22-16)26-10-8-17(9-11-26)24-20-7-4-15-12-18(27-2)5-6-19(15)25-20/h4-7,12-14,17H,3,8-11H2,1-2H3,(H,24,25)
InChIKeyMZLZPLIZSQEJJA-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.68
Rot. Bonds5

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

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine (PubChem CID 167824861) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine
PubChem CID167824861
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine
SMILESCCc1cc(N2CCC(Nc3ccc4cc(OC)ccc4n3)CC2)ncn1
InChIInChI=1S/C21H25N5O/c1-3-16-13-21(23-14-22-16)26-10-8-17(9-11-26)24-20-7-4-15-12-18(27-2)5-6-19(15)25-20/h4-7,12-14,17H,3,8-11H2,1-2H3,(H,24,25)
InChIKeyMZLZPLIZSQEJJA-UHFFFAOYSA-N
XLogP3.68
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine
CID 133343829
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
1-(6-ethylpyrimidin-4-yl)-N-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 133343808
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide
CID 154803218
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-(3-methoxyphenyl)piperidin-4-amine
CID 133460647
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine
CID 133343778
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
6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide
CID 133358123
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 127805061

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine (CID 167824861) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine is CCc1cc(N2CCC(Nc3ccc4cc(OC)ccc4n3)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine?
The InChIKey is MZLZPLIZSQEJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-16-13-21(23-14-22-16)26-10-8-17(9-11-26)24-20-7-4-15-12-18(27-2)5-6-19(15)25-20/h4-7,12-14,17H,3,8-11H2,1-2H3,(H,24,25).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-methoxyquinolin-2-amine is sourced from PubChem (CID 167824861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).