5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine

C9H5Br2Cl3N4 — CID 159405542

IUPAC5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine
SMILESCc1nc(Cl)ncc1Br.Clc1ncc(Br)c(Cl)n1
InChIInChI=1S/C5H4BrClN2.C4HBrCl2N2/c1-3-4(6)2-8-5(7)9-3;5-2-1-8-4(7)9-3(2)6/h2H,1H3;1H
InChIKeyLNXDVAPLOZRXCQ-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.75
Rot. Bonds

About 5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine

5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine (PubChem CID 159405542) has the molecular formula C9H5Br2Cl3N4 and a molecular weight of 435.33 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine
PubChem CID159405542
Molecular FormulaC9H5Br2Cl3N4
Molecular Weight435.33 g/mol
Exact Mass431.79
IUPAC Name5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine
SMILESCc1nc(Cl)ncc1Br.Clc1ncc(Br)c(Cl)n1
InChIInChI=1S/C5H4BrClN2.C4HBrCl2N2/c1-3-4(6)2-8-5(7)9-3;5-2-1-8-4(7)9-3(2)6/h2H,1H3;1H
InChIKeyLNXDVAPLOZRXCQ-UHFFFAOYSA-N
XLogP4.75
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2,4-dimethylpyrimidine;ethane
CID 155723230
5-bromo-4-chloro-2-fluoropyrimidine
CID 174338994
5-bromo-4-chloro-2-(4,5-dimethyl-1H-imidazol-2-yl)pyrimidine
CID 164661947
5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine
CID 66312284
5-bromo-4-chloro-2-ethoxypyrimidine
CID 130053493
5-bromo-2-methoxy-4-methylpyrimidine
CID 51401365
5-bromo-4-chloro-2-(methoxymethyl)pyrimidine
CID 66294698
5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine
CID 143899539
5-bromo-2-chloro-4-ethynylpyrimidine
CID 140917314
5-bromo-2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine
CID 79072431
5-bromo-4-chloro-2-(2,2-dimethylcyclopropyl)pyrimidine
CID 107925433
5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine
CID 79073131

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine (CID 159405542) is 5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine is Cc1nc(Cl)ncc1Br.Clc1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine?
The InChIKey is LNXDVAPLOZRXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2.C4HBrCl2N2/c1-3-4(6)2-8-5(7)9-3;5-2-1-8-4(7)9-3(2)6/h2H,1H3;1H.
What are the key properties of 5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine?
5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine has a molecular weight of 435.33 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine is sourced from PubChem (CID 159405542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).