5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione

C18H27N5O2 — CID 56714796

IUPAC5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(c3nc(C)ncc3CC)CC2)NC(=O)NC1=O
InChIInChI=1S/C18H27N5O2/c1-4-8-18(16(24)21-17(25)22-18)14-6-9-23(10-7-14)15-13(5-2)11-19-12(3)20-15/h11,14H,4-10H2,1-3H3,(H2,21,22,24,25)
InChIKeyPREWMEXYUYANSR-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.94
Rot. Bonds5

About 5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione

5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione (PubChem CID 56714796) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
PubChem CID56714796
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(c3nc(C)ncc3CC)CC2)NC(=O)NC1=O
InChIInChI=1S/C18H27N5O2/c1-4-8-18(16(24)21-17(25)22-18)14-6-9-23(10-7-14)15-13(5-2)11-19-12(3)20-15/h11,14H,4-10H2,1-3H3,(H2,21,22,24,25)
InChIKeyPREWMEXYUYANSR-UHFFFAOYSA-N
XLogP1.94
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 95215117
2-[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 56723617
4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56717761
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine
CID 50972909
(5R)-5-ethyl-5-[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 95206096
5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 154799872
N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50972218
5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
CID 95135800
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
CID 50979976
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
CID 72907206
1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419600

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione (CID 56714796) is 5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione is CCCC1(C2CCN(c3nc(C)ncc3CC)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The InChIKey is PREWMEXYUYANSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-8-18(16(24)21-17(25)22-18)14-6-9-23(10-7-14)15-13(5-2)11-19-12(3)20-15/h11,14H,4-10H2,1-3H3,(H2,21,22,24,25).
What are the key properties of 5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione has a molecular weight of 345.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 56714796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).