5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione

C11H17N3O2 — CID 66328932

IUPAC5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CC2CCCN2)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-2-8-6-14(11(16)13-10(8)15)7-9-4-3-5-12-9/h6,9,12H,2-5,7H2,1H3,(H,13,15,16)
InChIKeyVFMFLZASFHHMNW-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.15
Rot. Bonds3

About 5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione

5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 66328932) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID66328932
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CC2CCCN2)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-2-8-6-14(11(16)13-10(8)15)7-9-4-3-5-12-9/h6,9,12H,2-5,7H2,1H3,(H,13,15,16)
InChIKeyVFMFLZASFHHMNW-UHFFFAOYSA-N
XLogP-0.15
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione (CID 66328932) is 5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione is CCc1cn(CC2CCCN2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is VFMFLZASFHHMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-8-6-14(11(16)13-10(8)15)7-9-4-3-5-12-9/h6,9,12H,2-5,7H2,1H3,(H,13,15,16).
What are the key properties of 5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione?
5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66328932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).