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

C13H13Br2N3O — CID 136715427

IUPAC5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1nc(-c2ncccc2Br)[nH]c(=O)c1Br
InChIInChI=1S/C13H13Br2N3O/c1-13(2,3)10-8(15)12(19)18-11(17-10)9-7(14)5-4-6-16-9/h4-6H,1-3H3,(H,17,18,19)
InChIKeyMSYZPMWMTHRYKP-UHFFFAOYSA-N
MW387.08 g/mol
LogP3.65
Rot. Bonds1

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

5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one (PubChem CID 136715427) has the molecular formula C13H13Br2N3O and a molecular weight of 387.08 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one
PubChem CID136715427
Molecular FormulaC13H13Br2N3O
Molecular Weight387.08 g/mol
Exact Mass384.94
IUPAC Name5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1nc(-c2ncccc2Br)[nH]c(=O)c1Br
InChIInChI=1S/C13H13Br2N3O/c1-13(2,3)10-8(15)12(19)18-11(17-10)9-7(14)5-4-6-16-9/h4-6H,1-3H3,(H,17,18,19)
InChIKeyMSYZPMWMTHRYKP-UHFFFAOYSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.08
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136999475
2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764381
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
2-(3-bromo-2-pyridinyl)-4-[(tert-butylamino)methyl]-1H-pyrimidin-6-one
CID 136715517
2-(3-bromo-2-pyridinyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136999478
5-bromo-4-tert-butyl-2-(3-chloro-2-fluorophenyl)-1H-pyrimidin-6-one
CID 136987474
2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one
CID 136715411
5-bromo-4-tert-butyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 136790337
2-(3-bromo-2-pyridinyl)-4-propyl-1H-pyrimidin-6-one
CID 136715409
2-(3-bromo-2-pyridinyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478101
5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66304809

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one (CID 136715427) is 5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one is CC(C)(C)c1nc(-c2ncccc2Br)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one?
The InChIKey is MSYZPMWMTHRYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O/c1-13(2,3)10-8(15)12(19)18-11(17-10)9-7(14)5-4-6-16-9/h4-6H,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one?
5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one has a molecular weight of 387.08 g/mol, XLogP of 3.65, 1 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-tert-butyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136715427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).