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

C9H12BrN3O3 — CID 79076972

IUPAC5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCOC(c2nc(O)c(Br)c(=O)[nH]2)C1
InChIInChI=1S/C9H12BrN3O3/c1-13-2-3-16-5(4-13)7-11-8(14)6(10)9(15)12-7/h5H,2-4H2,1H3,(H2,11,12,14,15)
InChIKeyZFMXCJJRKYDYQM-UHFFFAOYSA-N
MW290.12 g/mol
LogP0.24
Rot. Bonds1

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

5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 79076972) has the molecular formula C9H12BrN3O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID79076972
Molecular FormulaC9H12BrN3O3
Molecular Weight290.12 g/mol
Exact Mass289.01
IUPAC Name5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCOC(c2nc(O)c(Br)c(=O)[nH]2)C1
InChIInChI=1S/C9H12BrN3O3/c1-13-2-3-16-5(4-13)7-11-8(14)6(10)9(15)12-7/h5H,2-4H2,1H3,(H2,11,12,14,15)
InChIKeyZFMXCJJRKYDYQM-UHFFFAOYSA-N
XLogP0.24
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-morpholin-2-yl-1H-pyrimidin-6-one
CID 174684388
5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 66284748
5-bromo-2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286972
5-Bromo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 66309005
4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077073
4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077280
4-hydroxy-5-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077480
5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077875
5-bromo-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79617475
4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79657437
4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79657438
5-bromo-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79657588

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 79076972) is 5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is CN1CCOC(c2nc(O)c(Br)c(=O)[nH]2)C1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is ZFMXCJJRKYDYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3/c1-13-2-3-16-5(4-13)7-11-8(14)6(10)9(15)12-7/h5H,2-4H2,1H3,(H2,11,12,14,15).
What are the key properties of 5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 290.12 g/mol, XLogP of 0.24, 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-methylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79076972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).