4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine

C12H14BrClN4 — CID 80945243

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-n2nc(C)c(Br)c2C)n1
InChIInChI=1S/C12H14BrClN4/c1-4-5-10-15-9(14)6-11(16-10)18-8(3)12(13)7(2)17-18/h6H,4-5H2,1-3H3
InChIKeyXBKNLGHHRCUFJP-UHFFFAOYSA-N
MW329.63 g/mol
LogP3.65
Rot. Bonds3

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine (PubChem CID 80945243) has the molecular formula C12H14BrClN4 and a molecular weight of 329.63 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine
PubChem CID80945243
Molecular FormulaC12H14BrClN4
Molecular Weight329.63 g/mol
Exact Mass328.01
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-n2nc(C)c(Br)c2C)n1
InChIInChI=1S/C12H14BrClN4/c1-4-5-10-15-9(14)6-11(16-10)18-8(3)12(13)7(2)17-18/h6H,4-5H2,1-3H3
InChIKeyXBKNLGHHRCUFJP-UHFFFAOYSA-N
XLogP3.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dipropylpyrimidin-4-amine
CID 80943054
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine
CID 102716266
4-chloro-6-imidazol-1-yl-2-propylpyrimidine
CID 80945862
6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
CID 80856780
1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole
CID 80939782
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine
CID 107373610
[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80900536
5-bromo-4-chloro-6-methyl-2-propylpyrimidine
CID 66293537
[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol
CID 114920544
4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine
CID 80945946
7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919252
4-bromo-1-[5-chloro-2-(chloromethyl)phenyl]-3,5-dimethylpyrazole
CID 114846880

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine (CID 80945243) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine is CCCc1nc(Cl)cc(-n2nc(C)c(Br)c2C)n1.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine?
The InChIKey is XBKNLGHHRCUFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4/c1-4-5-10-15-9(14)6-11(16-10)18-8(3)12(13)7(2)17-18/h6H,4-5H2,1-3H3.
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine has a molecular weight of 329.63 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine is sourced from PubChem (CID 80945243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).