5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one

C13H15BrN4O2 — CID 136930697

IUPAC5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCOc1c(-c2nc(C3CC3)c(Br)c(=O)[nH]2)c(C)nn1C
InChIInChI=1S/C13H15BrN4O2/c1-6-8(13(20-3)18(2)17-6)11-15-10(7-4-5-7)9(14)12(19)16-11/h7H,4-5H2,1-3H3,(H,15,16,19)
InChIKeyCYRAXBXVHQQEJP-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.13
Rot. Bonds3

About 5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one

5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136930697) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136930697
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCOc1c(-c2nc(C3CC3)c(Br)c(=O)[nH]2)c(C)nn1C
InChIInChI=1S/C13H15BrN4O2/c1-6-8(13(20-3)18(2)17-6)11-15-10(7-4-5-7)9(14)12(19)16-11/h7H,4-5H2,1-3H3,(H,15,16,19)
InChIKeyCYRAXBXVHQQEJP-UHFFFAOYSA-N
XLogP2.13
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
CID 136980141
5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930684
5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997852
5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136729643
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136930699
5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729693
5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 136997853
5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730223
5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730034
5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730042
5-bromo-4-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730055
5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 136964065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136930697) is 5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one is COc1c(-c2nc(C3CC3)c(Br)c(=O)[nH]2)c(C)nn1C.
What is the InChIKey of 5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is CYRAXBXVHQQEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-6-8(13(20-3)18(2)17-6)11-15-10(7-4-5-7)9(14)12(19)16-11/h7H,4-5H2,1-3H3,(H,15,16,19).
What are the key properties of 5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one?
5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 339.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopropyl-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136930697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).