5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one

C13H19BrN2O2 — CID 136997853

IUPAC5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
SMILESCOC(c1nc(C2CC2)c(Br)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C13H19BrN2O2/c1-13(2,3)10(18-4)11-15-9(7-5-6-7)8(14)12(17)16-11/h7,10H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyFQUCACMDBXOWRU-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.14
Rot. Bonds3

About 5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one

5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one (PubChem CID 136997853) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
PubChem CID136997853
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
SMILESCOC(c1nc(C2CC2)c(Br)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C13H19BrN2O2/c1-13(2,3)10(18-4)11-15-9(7-5-6-7)8(14)12(17)16-11/h7,10H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyFQUCACMDBXOWRU-UHFFFAOYSA-N
XLogP3.14
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997852
5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730223
5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 136964065
5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one
CID 136997911
5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136997863
5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136930697
4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 136997924
5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one
CID 136964464
5-bromo-4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136964072
5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136729643
5-bromo-4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 116705754
5-bromo-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79617475

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one (CID 136997853) is 5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one is COC(c1nc(C2CC2)c(Br)c(=O)[nH]1)C(C)(C)C.
What is the InChIKey of 5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
The InChIKey is FQUCACMDBXOWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2,3)10(18-4)11-15-9(7-5-6-7)8(14)12(17)16-11/h7,10H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of 5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one has a molecular weight of 315.21 g/mol, XLogP of 3.14, 3 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-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136997853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).