5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one

C11H15IN4O2 — CID 66340444

IUPAC5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCNCC2)c(=O)c1I
InChIInChI=1S/C11H15IN4O2/c1-8-10(12)11(18)16(7-14-8)6-9(17)15-4-2-13-3-5-15/h7,13H,2-6H2,1H3
InChIKeyPZOKQVUEKHZESM-UHFFFAOYSA-N
MW362.17 g/mol
LogP-0.41
Rot. Bonds2

About 5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one

5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one (PubChem CID 66340444) has the molecular formula C11H15IN4O2 and a molecular weight of 362.17 g/mol. Its IUPAC name is 5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
PubChem CID66340444
Molecular FormulaC11H15IN4O2
Molecular Weight362.17 g/mol
Exact Mass362.02
IUPAC Name5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCNCC2)c(=O)c1I
InChIInChI=1S/C11H15IN4O2/c1-8-10(12)11(18)16(7-14-8)6-9(17)15-4-2-13-3-5-15/h7,13H,2-6H2,1H3
InChIKeyPZOKQVUEKHZESM-UHFFFAOYSA-N
XLogP-0.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one (CID 66340444) is 5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one is Cc1ncn(CC(=O)N2CCNCC2)c(=O)c1I.
What is the InChIKey of 5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The InChIKey is PZOKQVUEKHZESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4O2/c1-8-10(12)11(18)16(7-14-8)6-9(17)15-4-2-13-3-5-15/h7,13H,2-6H2,1H3.
What are the key properties of 5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one has a molecular weight of 362.17 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66340444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).