6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

C18H26N4O4 — CID 70782881

IUPAC6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C18H26N4O4/c1-12-14(17(25)20-18(26)19-12)11-16(24)22-9-3-2-5-13(22)7-10-21-8-4-6-15(21)23/h13H,2-11H2,1H3,(H2,19,20,25,26)
InChIKeyCWYKRPQTFOEZHL-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.31
Rot. Bonds5

About 6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70782881) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID70782881
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C18H26N4O4/c1-12-14(17(25)20-18(26)19-12)11-16(24)22-9-3-2-5-13(22)7-10-21-8-4-6-15(21)23/h13H,2-11H2,1H3,(H2,19,20,25,26)
InChIKeyCWYKRPQTFOEZHL-UHFFFAOYSA-N
XLogP0.31
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 70782881) is 6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCCC1CCN1CCCC1=O.
What is the InChIKey of 6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CWYKRPQTFOEZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-12-14(17(25)20-18(26)19-12)11-16(24)22-9-3-2-5-13(22)7-10-21-8-4-6-15(21)23/h13H,2-11H2,1H3,(H2,19,20,25,26).
What are the key properties of 6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70782881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).