5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine

C12H14BrClN4 — CID 114554010

IUPAC5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine
SMILESCC(C)Cc1nc(-c2ccnn2C)nc(Cl)c1Br
InChIInChI=1S/C12H14BrClN4/c1-7(2)6-8-10(13)11(14)17-12(16-8)9-4-5-15-18(9)3/h4-5,7H,6H2,1-3H3
InChIKeyOILBUVNTGNOTCR-UHFFFAOYSA-N
MW329.63 g/mol
LogP3.49
Rot. Bonds3

About 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine

5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine (PubChem CID 114554010) has the molecular formula C12H14BrClN4 and a molecular weight of 329.63 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine
PubChem CID114554010
Molecular FormulaC12H14BrClN4
Molecular Weight329.63 g/mol
Exact Mass328.01
IUPAC Name5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine
SMILESCC(C)Cc1nc(-c2ccnn2C)nc(Cl)c1Br
InChIInChI=1S/C12H14BrClN4/c1-7(2)6-8-10(13)11(14)17-12(16-8)9-4-5-15-18(9)3/h4-5,7H,6H2,1-3H3
InChIKeyOILBUVNTGNOTCR-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine
CID 114553979
5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527549
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 82809633
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine
CID 103347915
2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole
CID 107124723
4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine
CID 114553959
2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184
5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine
CID 66312839
5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
CID 114554378
2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 107537899
5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
CID 114554404
N-ethyl-2-(2-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 114554287

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine (CID 114554010) is 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine is CC(C)Cc1nc(-c2ccnn2C)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine?
The InChIKey is OILBUVNTGNOTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4/c1-7(2)6-8-10(13)11(14)17-12(16-8)9-4-5-15-18(9)3/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine?
5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine has a molecular weight of 329.63 g/mol, XLogP of 3.49, 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-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 114554010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).