4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione

C11H13ClN4O2 — CID 66067833

IUPAC4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ncnc(Cl)c1C
InChIInChI=1S/C11H13ClN4O2/c1-3-7-11(18)15-8(17)4-16(7)10-6(2)9(12)13-5-14-10/h5,7H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyZVYNNWUOQBLRKZ-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.68
Rot. Bonds2

About 4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione

4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione (PubChem CID 66067833) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
PubChem CID66067833
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ncnc(Cl)c1C
InChIInChI=1S/C11H13ClN4O2/c1-3-7-11(18)15-8(17)4-16(7)10-6(2)9(12)13-5-14-10/h5,7H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyZVYNNWUOQBLRKZ-UHFFFAOYSA-N
XLogP0.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione (CID 66067833) is 4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1c1ncnc(Cl)c1C.
What is the InChIKey of 4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione?
The InChIKey is ZVYNNWUOQBLRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-3-7-11(18)15-8(17)4-16(7)10-6(2)9(12)13-5-14-10/h5,7H,3-4H2,1-2H3,(H,15,17,18).
What are the key properties of 4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione?
4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione has a molecular weight of 268.70 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66067833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).