5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one

C13H15BrN4O2 — CID 136790337

IUPAC5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(C(C)(C)C)c(Br)c(=O)[nH]2)nn1
InChIInChI=1S/C13H15BrN4O2/c1-13(2,3)10-9(14)12(19)16-11(15-10)7-5-6-8(20-4)18-17-7/h5-6H,1-4H3,(H,15,16,19)
InChIKeyRUVMPYZTRFOJCV-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.30
Rot. Bonds2

About 5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one

5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one (PubChem CID 136790337) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
PubChem CID136790337
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(C(C)(C)C)c(Br)c(=O)[nH]2)nn1
InChIInChI=1S/C13H15BrN4O2/c1-13(2,3)10-9(14)12(19)16-11(15-10)7-5-6-8(20-4)18-17-7/h5-6H,1-4H3,(H,15,16,19)
InChIKeyRUVMPYZTRFOJCV-UHFFFAOYSA-N
XLogP2.30
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 136790340
5-bromo-4-tert-butyl-2-(3,4-dibromophenyl)-1H-pyrimidin-6-one
CID 136782071
5-bromo-2-(3-bromothiophen-2-yl)-4-tert-butyl-1H-pyrimidin-6-one
CID 136967184
5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one
CID 136715427
4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 137012354
5-bromo-2-(6-methoxy-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136831512
5-bromo-4-tert-butyl-2-(3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one
CID 136987474
4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 136790373
5-bromo-4-tert-butyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136997775
2-(6-methoxypyridazin-3-yl)-1H-imidazole-5-carbaldehyde
CID 103375390
5-bromo-4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890437
5-bromo-4-tert-butyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one
CID 136963927

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one (CID 136790337) is 5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one is COc1ccc(-c2nc(C(C)(C)C)c(Br)c(=O)[nH]2)nn1.
What is the InChIKey of 5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is RUVMPYZTRFOJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-13(2,3)10-9(14)12(19)16-11(15-10)7-5-6-8(20-4)18-17-7/h5-6H,1-4H3,(H,15,16,19).
What are the key properties of 5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 339.19 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136790337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).