6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione

C18H30N4O4 — CID 53010431

IUPAC6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
SMILESCCOCC(=O)N1CCN(c2cc(=O)n(C(C)C)c(=O)n2C(C)C)CC1
InChIInChI=1S/C18H30N4O4/c1-6-26-12-17(24)20-9-7-19(8-10-20)15-11-16(23)22(14(4)5)18(25)21(15)13(2)3/h11,13-14H,6-10,12H2,1-5H3
InChIKeyIEYMRVIDKRLXSC-UHFFFAOYSA-N
MW366.46 g/mol
LogP0.86
Rot. Bonds6

About 6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione

6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione (PubChem CID 53010431) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
PubChem CID53010431
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
SMILESCCOCC(=O)N1CCN(c2cc(=O)n(C(C)C)c(=O)n2C(C)C)CC1
InChIInChI=1S/C18H30N4O4/c1-6-26-12-17(24)20-9-7-19(8-10-20)15-11-16(23)22(14(4)5)18(25)21(15)13(2)3/h11,13-14H,6-10,12H2,1-5H3
InChIKeyIEYMRVIDKRLXSC-UHFFFAOYSA-N
XLogP0.86
TPSA76.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[4-[2-(4-methoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
CID 53107680
6-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
CID 53001261
6-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
CID 53107672
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 53010421
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
2-[4-(2-ethoxyacetyl)piperazin-1-yl]propanenitrile
CID 55218750
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
CID 61074490
2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
6-[4-(2-ethoxyacetyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081415
chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane
CID 143238120
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione (CID 53010431) is 6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione is CCOCC(=O)N1CCN(c2cc(=O)n(C(C)C)c(=O)n2C(C)C)CC1.
What is the InChIKey of 6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione?
The InChIKey is IEYMRVIDKRLXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-6-26-12-17(24)20-9-7-19(8-10-20)15-11-16(23)22(14(4)5)18(25)21(15)13(2)3/h11,13-14H,6-10,12H2,1-5H3.
What are the key properties of 6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione?
6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione has a molecular weight of 366.46 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 53010431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).