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

C16H23ClN4O2 — CID 71998117

IUPAC[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCc1c(Cl)nc(C)nc1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H23ClN4O2/c1-3-12-14(17)18-11(2)19-15(12)20-6-8-21(9-7-20)16(22)13-5-4-10-23-13/h13H,3-10H2,1-2H3
InChIKeyDKLFDIUNRYQMBW-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.83
Rot. Bonds3

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

[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 71998117) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is [4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID71998117
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCc1c(Cl)nc(C)nc1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H23ClN4O2/c1-3-12-14(17)18-11(2)19-15(12)20-6-8-21(9-7-20)16(22)13-5-4-10-23-13/h13H,3-10H2,1-2H3
InChIKeyDKLFDIUNRYQMBW-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95785288
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110419164
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 39782177
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39782178
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122340192
[4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 83970308
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122349768
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 71998117) is [4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is CCc1c(Cl)nc(C)nc1N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is DKLFDIUNRYQMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c1-3-12-14(17)18-11(2)19-15(12)20-6-8-21(9-7-20)16(22)13-5-4-10-23-13/h13H,3-10H2,1-2H3.
What are the key properties of [4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 338.84 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 71998117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).