4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione

C9H9ClN4O2 — CID 66063784

IUPAC4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione
SMILESCc1nc(Cl)cc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C9H9ClN4O2/c1-5-11-6(10)2-7(12-5)14-3-8(15)13-9(16)4-14/h2H,3-4H2,1H3,(H,13,15,16)
InChIKeyJLINLEQYYMSSHN-UHFFFAOYSA-N
MW240.65 g/mol
LogP-0.10
Rot. Bonds1

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

4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione (PubChem CID 66063784) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione
PubChem CID66063784
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC Name4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione
SMILESCc1nc(Cl)cc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C9H9ClN4O2/c1-5-11-6(10)2-7(12-5)14-3-8(15)13-9(16)4-14/h2H,3-4H2,1H3,(H,13,15,16)
InChIKeyJLINLEQYYMSSHN-UHFFFAOYSA-N
XLogP-0.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 5-0.10
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-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione
CID 80951742
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane
CID 121204773
2-(3,5-dioxopiperazin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767776
(3aS,6aS)-2-(6-chloro-2-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129381760
5-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121205987
(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 129367907
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 62483560
methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133362813
4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione
CID 114565375
4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80546802
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione?
The IUPAC name of 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione (CID 66063784) is 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione is Cc1nc(Cl)cc(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione?
The InChIKey is JLINLEQYYMSSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c1-5-11-6(10)2-7(12-5)14-3-8(15)13-9(16)4-14/h2H,3-4H2,1H3,(H,13,15,16).
What are the key properties of 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione?
4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione has a molecular weight of 240.65 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione is sourced from PubChem (CID 66063784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).