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

C11H17BrN4O — CID 66308534

IUPAC5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CCN2CCNCC2)c(=O)c1Br
InChIInChI=1S/C11H17BrN4O/c1-9-10(12)11(17)16(8-14-9)7-6-15-4-2-13-3-5-15/h8,13H,2-7H2,1H3
InChIKeyHWNJZGZBIGZTFJ-UHFFFAOYSA-N
MW301.19 g/mol
LogP0.22
Rot. Bonds3

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

5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one (PubChem CID 66308534) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
PubChem CID66308534
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CCN2CCNCC2)c(=O)c1Br
InChIInChI=1S/C11H17BrN4O/c1-9-10(12)11(17)16(8-14-9)7-6-15-4-2-13-3-5-15/h8,13H,2-7H2,1H3
InChIKeyHWNJZGZBIGZTFJ-UHFFFAOYSA-N
XLogP0.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one (CID 66308534) is 5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one is Cc1ncn(CCN2CCNCC2)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
The InChIKey is HWNJZGZBIGZTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-9-10(12)11(17)16(8-14-9)7-6-15-4-2-13-3-5-15/h8,13H,2-7H2,1H3.
What are the key properties of 5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one has a molecular weight of 301.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66308534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).