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

C10H11ClN4O2 — CID 66075460

IUPAC4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione
SMILESCc1c(Cl)ncnc1N1CC(=O)NC(=O)C1C
InChIInChI=1S/C10H11ClN4O2/c1-5-8(11)12-4-13-9(5)15-3-7(16)14-10(17)6(15)2/h4,6H,3H2,1-2H3,(H,14,16,17)
InChIKeyAIZVCONVVQTLLO-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.29
Rot. Bonds1

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

4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione (PubChem CID 66075460) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione
PubChem CID66075460
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione
SMILESCc1c(Cl)ncnc1N1CC(=O)NC(=O)C1C
InChIInChI=1S/C10H11ClN4O2/c1-5-8(11)12-4-13-9(5)15-3-7(16)14-10(17)6(15)2/h4,6H,3H2,1-2H3,(H,14,16,17)
InChIKeyAIZVCONVVQTLLO-UHFFFAOYSA-N
XLogP0.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 66067833
4-[5-bromo-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 114072480
4-(2-amino-5-chloropyrimidin-4-yl)-3-methylpiperazine-2,6-dione
CID 80850976
4-(3-amino-5-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 66278903
4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 66063648
4-(2-chloro-4-pyridinyl)-3-methylpiperazine-2,6-dione
CID 102824283
4-(5-chloro-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 66233228
5,6-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)pyridazine-4-carbonitrile
CID 66076013
4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-3-methylpiperazine-2,6-dione
CID 80636173
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80851301
4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione
CID 66061062
4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-3-methylpiperazine-2,6-dione
CID 83126993

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione (CID 66075460) is 4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione is Cc1c(Cl)ncnc1N1CC(=O)NC(=O)C1C.
What is the InChIKey of 4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione?
The InChIKey is AIZVCONVVQTLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-5-8(11)12-4-13-9(5)15-3-7(16)14-10(17)6(15)2/h4,6H,3H2,1-2H3,(H,14,16,17).
What are the key properties of 4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione?
4-(6-chloro-5-methylpyrimidin-4-yl)-3-methylpiperazine-2,6-dione has a molecular weight of 254.68 g/mol, XLogP of 0.29, 1 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-methylpiperazine-2,6-dione is sourced from PubChem (CID 66075460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).