5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine

C10H9BrN4S — CID 56784867

IUPAC5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine
SMILESBrc1cnc(Sc2nccn2C2CC2)nc1
InChIInChI=1S/C10H9BrN4S/c11-7-5-13-9(14-6-7)16-10-12-3-4-15(10)8-1-2-8/h3-6,8H,1-2H2
InChIKeySCGADHNHIPFSFU-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.92
Rot. Bonds3

About 5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine

5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine (PubChem CID 56784867) has the molecular formula C10H9BrN4S and a molecular weight of 297.18 g/mol. Its IUPAC name is 5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine
PubChem CID56784867
Molecular FormulaC10H9BrN4S
Molecular Weight297.18 g/mol
Exact Mass295.97
IUPAC Name5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine
SMILESBrc1cnc(Sc2nccn2C2CC2)nc1
InChIInChI=1S/C10H9BrN4S/c11-7-5-13-9(14-6-7)16-10-12-3-4-15(10)8-1-2-8/h3-6,8H,1-2H2
InChIKeySCGADHNHIPFSFU-UHFFFAOYSA-N
XLogP2.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-2-(1H-imidazol-1-YL)pyrimidine
CID 16414245
N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine
CID 3071750
5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine
CID 75370274
5-fluoro-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]pyrimidine
CID 137889739
5-Bromo-4-fluoro-2-[(2-methyl-1h-imidazol-1-yl)methyl]pyrimidine
CID 164659964
5-Bromo-4-fluoro-2-[2-(1h-imidazol-1-yl)ethyl]pyrimidine
CID 164659969
5-Bromo-4-fluoro-2-[(1h-imidazol-1-yl)methyl]pyrimidine
CID 164659972
5-Bromo-4-(1-methylimidazol-2-yl)sulfanyl-2-methylsulfanylpyrimidine
CID 354427
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]pyrimidine
CID 902025
5-Bromo-N-[3-(1H-imidazol-1-YL)propyl]pyrimidin-2-amine
CID 4517240
5-bromo-2-(2-methyl-1H-imidazol-1-yl)-pyrimidine
CID 49758714
5-Bromo-2-(4-methyl-1h-imidazol-1-yl)pyrimidine
CID 49758715

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine?
The IUPAC name of 5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine (CID 56784867) is 5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine.
What is the SMILES notation for 5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine?
The canonical SMILES for 5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine is Brc1cnc(Sc2nccn2C2CC2)nc1.
What is the InChIKey of 5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine?
The InChIKey is SCGADHNHIPFSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4S/c11-7-5-13-9(14-6-7)16-10-12-3-4-15(10)8-1-2-8/h3-6,8H,1-2H2.
What are the key properties of 5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine?
5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine has a molecular weight of 297.18 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-cyclopropylimidazol-2-yl)sulfanylpyrimidine is sourced from PubChem (CID 56784867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).