5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one

C12H11Br2N3O — CID 136999475

IUPAC5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(-c2ncccc2Br)[nH]c(=O)c1Br
InChIInChI=1S/C12H11Br2N3O/c1-6(2)9-8(14)12(18)17-11(16-9)10-7(13)4-3-5-15-10/h3-6H,1-2H3,(H,16,17,18)
InChIKeyZYCYQHGHDXKPCU-UHFFFAOYSA-N
MW373.05 g/mol
LogP3.48
Rot. Bonds2

About 5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one

5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136999475) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136999475
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(-c2ncccc2Br)[nH]c(=O)c1Br
InChIInChI=1S/C12H11Br2N3O/c1-6(2)9-8(14)12(18)17-11(16-9)10-7(13)4-3-5-15-10/h3-6H,1-2H3,(H,16,17,18)
InChIKeyZYCYQHGHDXKPCU-UHFFFAOYSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one
CID 136715427
2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764381
2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one
CID 136715411
5-bromo-2-(6-methoxy-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136831512
2-(3-bromo-2-pyridinyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136999478
2-(3-bromo-2-pyridinyl)-4-[(tert-butylamino)methyl]-1H-pyrimidin-6-one
CID 136715517
2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one
CID 136715409
5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136889677
5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one
CID 136704232
2-(3-bromo-2-pyridinyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478101
2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 107519628
2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole
CID 107519603

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136999475) is 5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(-c2ncccc2Br)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZYCYQHGHDXKPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-6(2)9-8(14)12(18)17-11(16-9)10-7(13)4-3-5-15-10/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one?
5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 373.05 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136999475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).