5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C9H13BrN4O2 — CID 66284764

IUPAC5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2nc(O)c(Br)c(=O)[nH]2)CC1
InChIInChI=1S/C9H13BrN4O2/c1-13-2-4-14(5-3-13)9-11-7(15)6(10)8(16)12-9/h2-5H2,1H3,(H2,11,12,15,16)
InChIKeyBTZSAPFAXCXANQ-UHFFFAOYSA-N
MW289.13 g/mol
LogP-0.01
Rot. Bonds1

About 5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 66284764) has the molecular formula C9H13BrN4O2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID66284764
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC Name5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2nc(O)c(Br)c(=O)[nH]2)CC1
InChIInChI=1S/C9H13BrN4O2/c1-13-2-4-14(5-3-13)9-11-7(15)6(10)8(16)12-9/h2-5H2,1H3,(H2,11,12,15,16)
InChIKeyBTZSAPFAXCXANQ-UHFFFAOYSA-N
XLogP-0.01
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 66284764) is 5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CN1CCN(c2nc(O)c(Br)c(=O)[nH]2)CC1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is BTZSAPFAXCXANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c1-13-2-4-14(5-3-13)9-11-7(15)6(10)8(16)12-9/h2-5H2,1H3,(H2,11,12,15,16).
What are the key properties of 5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 289.13 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66284764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).