2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one

C21H28N4O2 — CID 136808440

IUPAC2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CC(=O)N2CCN(c3ccccc3C)C[C@H]2C)c(=O)[nH]1
InChIInChI=1S/C21H28N4O2/c1-5-19-22-16(4)17(21(27)23-19)12-20(26)25-11-10-24(13-15(25)3)18-9-7-6-8-14(18)2/h6-9,15H,5,10-13H2,1-4H3,(H,22,23,27)/t15-/m1/s1
InChIKeyIXRHOZJUMIZMGK-OAHLLOKOSA-N
MW368.48 g/mol
LogP2.23
Rot. Bonds4

About 2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one

2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one (PubChem CID 136808440) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
PubChem CID136808440
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CC(=O)N2CCN(c3ccccc3C)C[C@H]2C)c(=O)[nH]1
InChIInChI=1S/C21H28N4O2/c1-5-19-22-16(4)17(21(27)23-19)12-20(26)25-11-10-24(13-15(25)3)18-9-7-6-8-14(18)2/h6-9,15H,5,10-13H2,1-4H3,(H,22,23,27)/t15-/m1/s1
InChIKeyIXRHOZJUMIZMGK-OAHLLOKOSA-N
XLogP2.23
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 70751102
6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 70785679
1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 70775005
5-[2-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136835264
5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 70764665
2,4-dimethyl-5-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136870617
2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
CID 137092367
[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 96581267
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70709461
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70754396
1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 99973399
1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 70755407

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one (CID 136808440) is 2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one is CCc1nc(C)c(CC(=O)N2CCN(c3ccccc3C)C[C@H]2C)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The InChIKey is IXRHOZJUMIZMGK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-5-19-22-16(4)17(21(27)23-19)12-20(26)25-11-10-24(13-15(25)3)18-9-7-6-8-14(18)2/h6-9,15H,5,10-13H2,1-4H3,(H,22,23,27)/t15-/m1/s1.
What are the key properties of 2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one has a molecular weight of 368.48 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136808440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).