5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one

C9H11BrN2O3 — CID 116705753

IUPAC5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)c(Br)c(=O)[nH]1)C1CC1
InChIInChI=1S/C9H11BrN2O3/c1-15-6(4-2-3-4)7-11-8(13)5(10)9(14)12-7/h4,6H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyBYCDBGOLGLJXHC-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.34
Rot. Bonds3

About 5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one

5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116705753) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116705753
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)c(Br)c(=O)[nH]1)C1CC1
InChIInChI=1S/C9H11BrN2O3/c1-15-6(4-2-3-4)7-11-8(13)5(10)9(14)12-7/h4,6H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyBYCDBGOLGLJXHC-UHFFFAOYSA-N
XLogP1.34
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 66285757
5-bromo-2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286972
5-bromo-4-hydroxy-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
CID 66287367
5-bromo-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79617475
5-bromo-2-(cyclopropylmethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 80484457
5-bromo-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82836954
2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113554612
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705664
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705672
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116705676
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116705683
2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 116705693

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 116705753) is 5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one is COC(c1nc(O)c(Br)c(=O)[nH]1)C1CC1.
What is the InChIKey of 5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BYCDBGOLGLJXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c1-15-6(4-2-3-4)7-11-8(13)5(10)9(14)12-7/h4,6H,2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 275.10 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116705753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).