4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine

C10H9BrN4 — CID 164644169

IUPAC4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine
SMILESBrc1cc(-n2cc(C3CC3)cn2)ncn1
InChIInChI=1S/C10H9BrN4/c11-9-3-10(13-6-12-9)15-5-8(4-14-15)7-1-2-7/h3-7H,1-2H2
InChIKeyFXCZUVBTBXJJIW-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.30
Rot. Bonds2

About 4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine

4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine (PubChem CID 164644169) has the molecular formula C10H9BrN4 and a molecular weight of 265.11 g/mol. Its IUPAC name is 4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine
PubChem CID164644169
Molecular FormulaC10H9BrN4
Molecular Weight265.11 g/mol
Exact Mass264.00
IUPAC Name4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine
SMILESBrc1cc(-n2cc(C3CC3)cn2)ncn1
InChIInChI=1S/C10H9BrN4/c11-9-3-10(13-6-12-9)15-5-8(4-14-15)7-1-2-7/h3-7H,1-2H2
InChIKeyFXCZUVBTBXJJIW-UHFFFAOYSA-N
XLogP2.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine (CID 164644169) is 4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine is Brc1cc(-n2cc(C3CC3)cn2)ncn1.
What is the InChIKey of 4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine?
The InChIKey is FXCZUVBTBXJJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4/c11-9-3-10(13-6-12-9)15-5-8(4-14-15)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine?
4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine has a molecular weight of 265.11 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 164644169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).