5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C10H15BrN4O2 — CID 136957536

IUPAC5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCN(CCO)CC2)c1Br
InChIInChI=1S/C10H15BrN4O2/c11-8-9(12-7-13-10(8)17)15-3-1-14(2-4-15)5-6-16/h7,16H,1-6H2,(H,12,13,17)
InChIKeyVPDKRNIYRWQYBN-UHFFFAOYSA-N
MW303.16 g/mol
LogP-0.35
Rot. Bonds3

About 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957536) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957536
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCN(CCO)CC2)c1Br
InChIInChI=1S/C10H15BrN4O2/c11-8-9(12-7-13-10(8)17)15-3-1-14(2-4-15)5-6-16/h7,16H,1-6H2,(H,12,13,17)
InChIKeyVPDKRNIYRWQYBN-UHFFFAOYSA-N
XLogP-0.35
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136957536) is 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCN(CCO)CC2)c1Br.
What is the InChIKey of 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is VPDKRNIYRWQYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c11-8-9(12-7-13-10(8)17)15-3-1-14(2-4-15)5-6-16/h7,16H,1-6H2,(H,12,13,17).
What are the key properties of 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 303.16 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).