5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one

C9H13BrN2O2 — CID 136730202

IUPAC5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(C)c(Br)c(=O)[nH]1
InChIInChI=1S/C9H13BrN2O2/c1-5(14-3)4-7-11-6(2)8(10)9(13)12-7/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyHLWVETVUAXHSHL-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.42
Rot. Bonds3

About 5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one

5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136730202) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136730202
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(C)c(Br)c(=O)[nH]1
InChIInChI=1S/C9H13BrN2O2/c1-5(14-3)4-7-11-6(2)8(10)9(13)12-7/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyHLWVETVUAXHSHL-UHFFFAOYSA-N
XLogP1.42
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
CID 136730196
5-bromo-2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136842448
5-bromo-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842449
5-bromo-4-methyl-2-propyl-1H-pyrimidin-6-one
CID 136256359
5-bromo-4-hydroxy-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249139
5-bromo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249168
5-bromo-2-(2-methoxyethyl)-4-propyl-1H-pyrimidin-6-one
CID 136225009
5-bromo-4-tert-butyl-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 136225029
5-bromo-2-(2-methoxyethyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136225097
5-bromo-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136225144
5-bromo-4-(methoxymethyl)-2-propyl-1H-pyrimidin-6-one
CID 136225252
5-bromo-2-ethyl-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136225253

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one (CID 136730202) is 5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one is COC(C)Cc1nc(C)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HLWVETVUAXHSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-5(14-3)4-7-11-6(2)8(10)9(13)12-7/h5H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 261.12 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).