1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone

C19H23ClN4O — CID 133328432

IUPAC1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
SMILESCCc1c(Cl)nc(C)nc1N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23ClN4O/c1-3-16-18(20)21-14(2)22-19(16)24-11-9-23(10-12-24)17(25)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3
InChIKeyLZTMNXSJNYATEX-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.89
Rot. Bonds4

About 1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone

1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone (PubChem CID 133328432) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
PubChem CID133328432
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
SMILESCCc1c(Cl)nc(C)nc1N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23ClN4O/c1-3-16-18(20)21-14(2)22-19(16)24-11-9-23(10-12-24)17(25)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3
InChIKeyLZTMNXSJNYATEX-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 1027480
1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133355041
1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
CID 108763798
2-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 133321141
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 142220575
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 121035141
2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 133324787
[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 71998117
1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 1029941
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylethanone
CID 133332976
1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 42774981
4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N,N-dimethylpiperazine-1-carboxamide
CID 4144430

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone (CID 133328432) is 1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone is CCc1c(Cl)nc(C)nc1N1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is LZTMNXSJNYATEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-3-16-18(20)21-14(2)22-19(16)24-11-9-23(10-12-24)17(25)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3.
What are the key properties of 1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone?
1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 358.87 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 133328432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).