2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine

C12H8BrClN4O — CID 106886214

IUPAC2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cc(Cl)nc(-c3occc3Br)n2)cn1
InChIInChI=1S/C12H8BrClN4O/c1-18-6-7(5-15-18)9-4-10(14)17-12(16-9)11-8(13)2-3-19-11/h2-6H,1H3
InChIKeyOZRQYKLSESDZDY-UHFFFAOYSA-N
MW339.58 g/mol
LogP3.55
Rot. Bonds2

About 2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine

2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 106886214) has the molecular formula C12H8BrClN4O and a molecular weight of 339.58 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID106886214
Molecular FormulaC12H8BrClN4O
Molecular Weight339.58 g/mol
Exact Mass337.96
IUPAC Name2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cc(Cl)nc(-c3occc3Br)n2)cn1
InChIInChI=1S/C12H8BrClN4O/c1-18-6-7(5-15-18)9-4-10(14)17-12(16-9)11-8(13)2-3-19-11/h2-6H,1H3
InChIKeyOZRQYKLSESDZDY-UHFFFAOYSA-N
XLogP3.55
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 106715293
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715392
4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715304
4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715389
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715353
1-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]azepane
CID 106715363
4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715271

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine (CID 106886214) is 2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2cc(Cl)nc(-c3occc3Br)n2)cn1.
What is the InChIKey of 2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is OZRQYKLSESDZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4O/c1-18-6-7(5-15-18)9-4-10(14)17-12(16-9)11-8(13)2-3-19-11/h2-6H,1H3.
What are the key properties of 2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine?
2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 339.58 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 106886214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).