2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone

C20H32ClN5O — CID 133321141

IUPAC2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCc1c(Cl)nc(C)nc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C20H32ClN5O/c1-4-17-19(21)22-15(3)23-20(17)26-8-6-16(7-9-26)14-18(27)25-12-10-24(5-2)11-13-25/h16H,4-14H2,1-3H3
InChIKeyHRHWXBYHBWTMDC-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.77
Rot. Bonds5

About 2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone

2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 133321141) has the molecular formula C20H32ClN5O and a molecular weight of 393.96 g/mol. Its IUPAC name is 2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID133321141
Molecular FormulaC20H32ClN5O
Molecular Weight393.96 g/mol
Exact Mass393.23
IUPAC Name2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCc1c(Cl)nc(C)nc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C20H32ClN5O/c1-4-17-19(21)22-15(3)23-20(17)26-8-6-16(7-9-26)14-18(27)25-12-10-24(5-2)11-13-25/h16H,4-14H2,1-3H3
InChIKeyHRHWXBYHBWTMDC-UHFFFAOYSA-N
XLogP2.77
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133293875
1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 133328432
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 133293899
1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133355041
1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone
CID 133321152
2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol
CID 133437535
N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 71996674
tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 133320736
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593
[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-(4-chlorophenyl)methanol
CID 133321390
1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone
CID 133293927
ethyl 1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387283

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone (CID 133321141) is 2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone is CCc1c(Cl)nc(C)nc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1.
What is the InChIKey of 2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is HRHWXBYHBWTMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN5O/c1-4-17-19(21)22-15(3)23-20(17)26-8-6-16(7-9-26)14-18(27)25-12-10-24(5-2)11-13-25/h16H,4-14H2,1-3H3.
What are the key properties of 2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 393.96 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 133321141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).