1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione

C13H20N4O3 — CID 56705900

IUPAC1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCCC1CN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)CCN1
InChIInChI=1S/C13H20N4O3/c1-3-10-7-16(5-4-14-10)11(18)8-17-6-9(2)12(19)15-13(17)20/h6,10,14H,3-5,7-8H2,1-2H3,(H,15,19,20)
InChIKeyHMFVZAXMEQJBRR-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.94
Rot. Bonds3

About 1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione

1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 56705900) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione
PubChem CID56705900
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCCC1CN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)CCN1
InChIInChI=1S/C13H20N4O3/c1-3-10-7-16(5-4-14-10)11(18)8-17-6-9(2)12(19)15-13(17)20/h6,10,14H,3-5,7-8H2,1-2H3,(H,15,19,20)
InChIKeyHMFVZAXMEQJBRR-UHFFFAOYSA-N
XLogP-0.94
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione (CID 56705900) is 1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione is CCC1CN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)CCN1.
What is the InChIKey of 1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is HMFVZAXMEQJBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-10-7-16(5-4-14-10)11(18)8-17-6-9(2)12(19)15-13(17)20/h6,10,14H,3-5,7-8H2,1-2H3,(H,15,19,20).
What are the key properties of 1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 56705900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).