4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione

C11H13ClN4O2 — CID 66061062

IUPAC4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione
SMILESCCCc1c(Cl)ncnc1N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H13ClN4O2/c1-2-3-7-10(12)13-6-14-11(7)16-4-8(17)15-9(18)5-16/h6H,2-5H2,1H3,(H,15,17,18)
InChIKeyWMGOTIJLCMTQPX-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.55
Rot. Bonds3

About 4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione

4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione (PubChem CID 66061062) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione
PubChem CID66061062
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione
SMILESCCCc1c(Cl)ncnc1N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H13ClN4O2/c1-2-3-7-10(12)13-6-14-11(7)16-4-8(17)15-9(18)5-16/h6H,2-5H2,1H3,(H,15,17,18)
InChIKeyWMGOTIJLCMTQPX-UHFFFAOYSA-N
XLogP0.55
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.55
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-propylpyrimidin-4-yl)piperazine-2,6-dione?
The IUPAC name of 4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione (CID 66061062) is 4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione is CCCc1c(Cl)ncnc1N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione?
The InChIKey is WMGOTIJLCMTQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-2-3-7-10(12)13-6-14-11(7)16-4-8(17)15-9(18)5-16/h6H,2-5H2,1H3,(H,15,17,18).
What are the key properties of 4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione?
4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione has a molecular weight of 268.70 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione is sourced from PubChem (CID 66061062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).