2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one

C12H18N4O2 — CID 55261962

IUPAC2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCNCC2)c(C)n1
InChIInChI=1S/C12H18N4O2/c1-9-7-11(17)16(10(2)14-9)8-12(18)15-5-3-13-4-6-15/h7,13H,3-6,8H2,1-2H3
InChIKeyACJKRITZGQWIFE-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.71
Rot. Bonds2

About 2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one

2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one (PubChem CID 55261962) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
PubChem CID55261962
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCNCC2)c(C)n1
InChIInChI=1S/C12H18N4O2/c1-9-7-11(17)16(10(2)14-9)8-12(18)15-5-3-13-4-6-15/h7,13H,3-6,8H2,1-2H3
InChIKeyACJKRITZGQWIFE-UHFFFAOYSA-N
XLogP-0.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one (CID 55261962) is 2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CCNCC2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The InChIKey is ACJKRITZGQWIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-7-11(17)16(10(2)14-9)8-12(18)15-5-3-13-4-6-15/h7,13H,3-6,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one has a molecular weight of 250.30 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 55261962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).