5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine

C13H16BrClN4 — CID 112670230

IUPAC5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine
SMILESCCc1nn(C)cc1-c1nc(Cl)c(Br)c(C(C)C)n1
InChIInChI=1S/C13H16BrClN4/c1-5-9-8(6-19(4)18-9)13-16-11(7(2)3)10(14)12(15)17-13/h6-7H,5H2,1-4H3
InChIKeyWPYMDRJXQDDQIO-UHFFFAOYSA-N
MW343.66 g/mol
LogP3.98
Rot. Bonds3

About 5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine

5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine (PubChem CID 112670230) has the molecular formula C13H16BrClN4 and a molecular weight of 343.66 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine
PubChem CID112670230
Molecular FormulaC13H16BrClN4
Molecular Weight343.66 g/mol
Exact Mass342.02
IUPAC Name5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine
SMILESCCc1nn(C)cc1-c1nc(Cl)c(Br)c(C(C)C)n1
InChIInChI=1S/C13H16BrClN4/c1-5-9-8(6-19(4)18-9)13-16-11(7(2)3)10(14)12(15)17-13/h6-7H,5H2,1-4H3
InChIKeyWPYMDRJXQDDQIO-UHFFFAOYSA-N
XLogP3.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.66
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
CID 112670214
5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 112671013
5-bromo-4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-propan-2-ylpyrimidine
CID 79584092
4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 112670237
5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine
CID 66291996
5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine
CID 66293425
5-bromo-4-chloro-2-(4-methylsulfanylphenyl)-6-propan-2-ylpyrimidine
CID 66312655
N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidin-4-amine
CID 115990720
4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
CID 112670204
2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 115990831
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
CID 66313822
5-bromo-4-chloro-2-(5-methylthiophen-2-yl)-6-propan-2-ylpyrimidine
CID 66312071

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine (CID 112670230) is 5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine is CCc1nn(C)cc1-c1nc(Cl)c(Br)c(C(C)C)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine?
The InChIKey is WPYMDRJXQDDQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN4/c1-5-9-8(6-19(4)18-9)13-16-11(7(2)3)10(14)12(15)17-13/h6-7H,5H2,1-4H3.
What are the key properties of 5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine has a molecular weight of 343.66 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 112670230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).