4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one

C10H13ClN4O — CID 63734938

IUPAC4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one
SMILESCc1nc(Cl)c(C)c(N2CCNC(=O)C2)n1
InChIInChI=1S/C10H13ClN4O/c1-6-9(11)13-7(2)14-10(6)15-4-3-12-8(16)5-15/h3-5H2,1-2H3,(H,12,16)
InChIKeyJOQKAWBOBODZPT-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.68
Rot. Bonds1

About 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one

4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one (PubChem CID 63734938) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one
PubChem CID63734938
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one
SMILESCc1nc(Cl)c(C)c(N2CCNC(=O)C2)n1
InChIInChI=1S/C10H13ClN4O/c1-6-9(11)13-7(2)14-10(6)15-4-3-12-8(16)5-15/h3-5H2,1-2H3,(H,12,16)
InChIKeyJOQKAWBOBODZPT-UHFFFAOYSA-N
XLogP0.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one (CID 63734938) is 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one is Cc1nc(Cl)c(C)c(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one?
The InChIKey is JOQKAWBOBODZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-6-9(11)13-7(2)14-10(6)15-4-3-12-8(16)5-15/h3-5H2,1-2H3,(H,12,16).
What are the key properties of 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one?
4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one has a molecular weight of 240.69 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 63734938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).