5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine

C10H9BrCl2N4 — CID 112670214

IUPAC5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
SMILESCCc1nn(C)cc1-c1nc(Cl)c(Br)c(Cl)n1
InChIInChI=1S/C10H9BrCl2N4/c1-3-6-5(4-17(2)16-6)10-14-8(12)7(11)9(13)15-10/h4H,3H2,1-2H3
InChIKeySNOXYZUXWUVBED-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.51
Rot. Bonds2

About 5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine

5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine (PubChem CID 112670214) has the molecular formula C10H9BrCl2N4 and a molecular weight of 336.02 g/mol. Its IUPAC name is 5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
PubChem CID112670214
Molecular FormulaC10H9BrCl2N4
Molecular Weight336.02 g/mol
Exact Mass333.94
IUPAC Name5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
SMILESCCc1nn(C)cc1-c1nc(Cl)c(Br)c(Cl)n1
InChIInChI=1S/C10H9BrCl2N4/c1-3-6-5(4-17(2)16-6)10-14-8(12)7(11)9(13)15-10/h4H,3H2,1-2H3
InChIKeySNOXYZUXWUVBED-UHFFFAOYSA-N
XLogP3.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine
CID 112670230
5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 112671013
4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 112670237
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-4,6-dichloropyrimidine
CID 83091448
4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
CID 112670204
6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 115990752
2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 112671008
5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine
CID 66312839
3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 70791517
2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 112670983
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 83084574
N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidin-4-amine
CID 115990720

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine (CID 112670214) is 5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine is CCc1nn(C)cc1-c1nc(Cl)c(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is SNOXYZUXWUVBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2N4/c1-3-6-5(4-17(2)16-6)10-14-8(12)7(11)9(13)15-10/h4H,3H2,1-2H3.
What are the key properties of 5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine?
5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 336.02 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 112670214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).