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

C12H15BrN2O2 — CID 136997852

IUPAC5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nc(C2CC2)c(Br)c(=O)[nH]1)C1CC1
InChIInChI=1S/C12H15BrN2O2/c1-17-10(7-4-5-7)11-14-9(6-2-3-6)8(13)12(16)15-11/h6-7,10H,2-5H2,1H3,(H,14,15,16)
InChIKeyBNORBFRWVDPVHA-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.51
Rot. Bonds4

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

5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 136997852) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
PubChem CID136997852
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nc(C2CC2)c(Br)c(=O)[nH]1)C1CC1
InChIInChI=1S/C12H15BrN2O2/c1-17-10(7-4-5-7)11-14-9(6-2-3-6)8(13)12(16)15-11/h6-7,10H,2-5H2,1H3,(H,14,15,16)
InChIKeyBNORBFRWVDPVHA-UHFFFAOYSA-N
XLogP2.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 136997853
4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 136997924
5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730223
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997676
5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one
CID 136997911
2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136997554
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705672
5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 136964065
4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997573
5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136930697
4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965156
2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116728169

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (CID 136997852) is 5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is COC(c1nc(C2CC2)c(Br)c(=O)[nH]1)C1CC1.
What is the InChIKey of 5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is BNORBFRWVDPVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-17-10(7-4-5-7)11-14-9(6-2-3-6)8(13)12(16)15-11/h6-7,10H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 299.17 g/mol, XLogP of 2.51, 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-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136997852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).