5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one

C9H13BrN2O3 — CID 116705754

IUPAC5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)c(Br)c(=O)[nH]1)C(C)C
InChIInChI=1S/C9H13BrN2O3/c1-4(2)6(15-3)7-11-8(13)5(10)9(14)12-7/h4,6H,1-3H3,(H2,11,12,13,14)
InChIKeyWNWFRWUVMYMVFV-UHFFFAOYSA-N
MW277.12 g/mol
LogP1.58
Rot. Bonds3

About 5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 116705754) has the molecular formula C9H13BrN2O3 and a molecular weight of 277.12 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID116705754
Molecular FormulaC9H13BrN2O3
Molecular Weight277.12 g/mol
Exact Mass276.01
IUPAC Name5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)c(Br)c(=O)[nH]1)C(C)C
InChIInChI=1S/C9H13BrN2O3/c1-4(2)6(15-3)7-11-8(13)5(10)9(14)12-7/h4,6H,1-3H3,(H2,11,12,13,14)
InChIKeyWNWFRWUVMYMVFV-UHFFFAOYSA-N
XLogP1.58
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79617475
5-bromo-2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286972
2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136965337
2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 116705690
4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79617235
5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705746
5-bromo-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106814942
5-bromo-2-(4-chloro-2-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106819074
5-bromo-2-(3,4-dimethoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286164
5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 136997853
5-bromo-4-hydroxy-2-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 66313092
5-bromo-2-(4-bromo-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 103083543

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one (CID 116705754) is 5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one is COC(c1nc(O)c(Br)c(=O)[nH]1)C(C)C.
What is the InChIKey of 5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is WNWFRWUVMYMVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3/c1-4(2)6(15-3)7-11-8(13)5(10)9(14)12-7/h4,6H,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 277.12 g/mol, XLogP of 1.58, 3 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-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).