6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione

C11H18N4O2 — CID 7080822

IUPAC6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCN1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1
InChIInChI=1S/C11H18N4O2/c1-3-14-4-6-15(7-5-14)9-8-10(16)13(2)11(17)12-9/h8H,3-7H2,1-2H3,(H,12,17)
InChIKeyNTNPMOXWQJXAIC-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.78
Rot. Bonds2

About 6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione

6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 7080822) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID7080822
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCN1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1
InChIInChI=1S/C11H18N4O2/c1-3-14-4-6-15(7-5-14)9-8-10(16)13(2)11(17)12-9/h8H,3-7H2,1-2H3,(H,12,17)
InChIKeyNTNPMOXWQJXAIC-UHFFFAOYSA-N
XLogP-0.78
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (CID 7080822) is 6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is CCN1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is NTNPMOXWQJXAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-14-4-6-15(7-5-14)9-8-10(16)13(2)11(17)12-9/h8H,3-7H2,1-2H3,(H,12,17).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7080822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).