1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone

C20H26N4O — CID 112876501

IUPAC1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
SMILESCCC1CCCCN1c1cc(Nc2ccc(C(C)=O)cc2)nc(C)n1
InChIInChI=1S/C20H26N4O/c1-4-18-7-5-6-12-24(18)20-13-19(21-15(3)22-20)23-17-10-8-16(9-11-17)14(2)25/h8-11,13,18H,4-7,12H2,1-3H3,(H,21,22,23)
InChIKeyYAKNLXRIBUNWLX-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.50
Rot. Bonds5

About 1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone

1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone (PubChem CID 112876501) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
PubChem CID112876501
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
SMILESCCC1CCCCN1c1cc(Nc2ccc(C(C)=O)cc2)nc(C)n1
InChIInChI=1S/C20H26N4O/c1-4-18-7-5-6-12-24(18)20-13-19(21-15(3)22-20)23-17-10-8-16(9-11-17)14(2)25/h8-11,13,18H,4-7,12H2,1-3H3,(H,21,22,23)
InChIKeyYAKNLXRIBUNWLX-UHFFFAOYSA-N
XLogP4.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112876488
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876470
N-(3,5-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876471
N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876515
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112869044
2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112876525
6-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112867342
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112926026
1-[4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876052
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847153
N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847196

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone (CID 112876501) is 1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone is CCC1CCCCN1c1cc(Nc2ccc(C(C)=O)cc2)nc(C)n1.
What is the InChIKey of 1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone?
The InChIKey is YAKNLXRIBUNWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-18-7-5-6-12-24(18)20-13-19(21-15(3)22-20)23-17-10-8-16(9-11-17)14(2)25/h8-11,13,18H,4-7,12H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone?
1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone has a molecular weight of 338.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112876501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).