1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone

C24H27N5O2 — CID 92606944

IUPAC1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCN(C)c1cc(C2CCN(C(=O)COc3ccccc3)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C24H27N5O2/c1-28(2)22-15-21(26-24(27-22)19-7-6-12-25-16-19)18-10-13-29(14-11-18)23(30)17-31-20-8-4-3-5-9-20/h3-9,12,15-16,18H,10-11,13-14,17H2,1-2H3
InChIKeySJUPSSOBWJNDBY-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.39
Rot. Bonds6

About 1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone

1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 92606944) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID92606944
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCN(C)c1cc(C2CCN(C(=O)COc3ccccc3)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C24H27N5O2/c1-28(2)22-15-21(26-24(27-22)19-7-6-12-25-16-19)18-10-13-29(14-11-18)23(30)17-31-20-8-4-3-5-9-20/h3-9,12,15-16,18H,10-11,13-14,17H2,1-2H3
InChIKeySJUPSSOBWJNDBY-UHFFFAOYSA-N
XLogP3.39
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 92556138
1-[(3S)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606897
1-[(3R)-3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92606896
2-cyclohexyl-1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110239950
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110239994
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 110239986
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 92607076
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110239981
1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92585057
(2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110239961
6-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606953
6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 110243871

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone (CID 92606944) is 1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone is CN(C)c1cc(C2CCN(C(=O)COc3ccccc3)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is SJUPSSOBWJNDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-28(2)22-15-21(26-24(27-22)19-7-6-12-25-16-19)18-10-13-29(14-11-18)23(30)17-31-20-8-4-3-5-9-20/h3-9,12,15-16,18H,10-11,13-14,17H2,1-2H3.
What are the key properties of 1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 417.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 92606944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).