5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine

C9H8BrClN4 — CID 130598648

IUPAC5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine
SMILESCc1nc(-c2cn(C)cn2)nc(Cl)c1Br
InChIInChI=1S/C9H8BrClN4/c1-5-7(10)8(11)14-9(13-5)6-3-15(2)4-12-6/h3-4H,1-2H3
InChIKeyXJAROKKHCKBMGG-UHFFFAOYSA-N
MW287.55 g/mol
LogP2.60
Rot. Bonds1

About 5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine

5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine (PubChem CID 130598648) has the molecular formula C9H8BrClN4 and a molecular weight of 287.55 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine
PubChem CID130598648
Molecular FormulaC9H8BrClN4
Molecular Weight287.55 g/mol
Exact Mass285.96
IUPAC Name5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine
SMILESCc1nc(-c2cn(C)cn2)nc(Cl)c1Br
InChIInChI=1S/C9H8BrClN4/c1-5-7(10)8(11)14-9(13-5)6-3-15(2)4-12-6/h3-4H,1-2H3
InChIKeyXJAROKKHCKBMGG-UHFFFAOYSA-N
XLogP2.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.55
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine (CID 130598648) is 5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine is Cc1nc(-c2cn(C)cn2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine?
The InChIKey is XJAROKKHCKBMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN4/c1-5-7(10)8(11)14-9(13-5)6-3-15(2)4-12-6/h3-4H,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine?
5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine has a molecular weight of 287.55 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 130598648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).