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

C10H13BrN2O3 — CID 80689849

IUPAC5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
SMILESCC1(c2nc(O)c(Br)c(=O)[nH]2)CCCCO1
InChIInChI=1S/C10H13BrN2O3/c1-10(4-2-3-5-16-10)9-12-7(14)6(11)8(15)13-9/h2-5H2,1H3,(H2,12,13,14,15)
InChIKeyYIFASJSFYHJDNM-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.65
Rot. Bonds1

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

5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one (PubChem CID 80689849) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
PubChem CID80689849
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
SMILESCC1(c2nc(O)c(Br)c(=O)[nH]2)CCCCO1
InChIInChI=1S/C10H13BrN2O3/c1-10(4-2-3-5-16-10)9-12-7(14)6(11)8(15)13-9/h2-5H2,1H3,(H2,12,13,14,15)
InChIKeyYIFASJSFYHJDNM-UHFFFAOYSA-N
XLogP1.65
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one (CID 80689849) is 5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one is CC1(c2nc(O)c(Br)c(=O)[nH]2)CCCCO1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is YIFASJSFYHJDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-10(4-2-3-5-16-10)9-12-7(14)6(11)8(15)13-9/h2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 289.13 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 80689849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).