2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione

C12H10BrN3S — CID 106478379

IUPAC2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(-c2ccc(Br)cn2)n1
InChIInChI=1S/C12H10BrN3S/c13-8-3-4-9(14-6-8)12-15-10(7-1-2-7)5-11(17)16-12/h3-7H,1-2H2,(H,15,16,17)
InChIKeyQQAVUOYTOGOPRQ-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.84
Rot. Bonds2

About 2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione

2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione (PubChem CID 106478379) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione
PubChem CID106478379
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(-c2ccc(Br)cn2)n1
InChIInChI=1S/C12H10BrN3S/c13-8-3-4-9(14-6-8)12-15-10(7-1-2-7)5-11(17)16-12/h3-7H,1-2H2,(H,15,16,17)
InChIKeyQQAVUOYTOGOPRQ-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione
CID 106478421
2-(3-bromophenyl)-6-cyclopentyl-1H-pyrimidine-4-thione
CID 106481904
6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione
CID 136696572
2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478506
6-cyclopropyl-2-naphthalen-1-yl-1H-pyrimidine-4-thione
CID 106478535
6-cyclopropyl-2-(3-fluorophenyl)-1H-pyrimidine-4-thione
CID 106478359
6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106481815
6-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106478585
6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106481823
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136715399
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione (CID 106478379) is 2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione is S=c1cc(C2CC2)[nH]c(-c2ccc(Br)cn2)n1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione?
The InChIKey is QQAVUOYTOGOPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-8-3-4-9(14-6-8)12-15-10(7-1-2-7)5-11(17)16-12/h3-7H,1-2H2,(H,15,16,17).
What are the key properties of 2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione?
2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione has a molecular weight of 308.20 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).