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

C11H15BrN2O2 — CID 136730223

IUPAC5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(C2CC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C11H15BrN2O2/c1-6(16-2)5-8-13-10(7-3-4-7)9(12)11(15)14-8/h6-7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyZDIDNUZJKKSCIO-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.99
Rot. Bonds4

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

5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one (PubChem CID 136730223) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
PubChem CID136730223
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(C2CC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C11H15BrN2O2/c1-6(16-2)5-8-13-10(7-3-4-7)9(12)11(15)14-8/h6-7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyZDIDNUZJKKSCIO-UHFFFAOYSA-N
XLogP1.99
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730224
4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730191
5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997852
5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136730198
5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one
CID 136964464
5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 136997853
5-bromo-4-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842481
5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 136964065
5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
CID 137011850
2-benzyl-5-bromo-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729655
5-bromo-2-(2-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479115
5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 136729648

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one (CID 136730223) is 5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one is COC(C)Cc1nc(C2CC2)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The InChIKey is ZDIDNUZJKKSCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-6(16-2)5-8-13-10(7-3-4-7)9(12)11(15)14-8/h6-7H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).