5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine

C13H14BrClN4 — CID 66311681

IUPAC5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(-c2cncn2C2CC2)nc(Cl)c1Br
InChIInChI=1S/C13H14BrClN4/c1-7(2)11-10(14)12(15)18-13(17-11)9-5-16-6-19(9)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyFUDMEEYDFUTIES-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.21
Rot. Bonds3

About 5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine

5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine (PubChem CID 66311681) has the molecular formula C13H14BrClN4 and a molecular weight of 341.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine
PubChem CID66311681
Molecular FormulaC13H14BrClN4
Molecular Weight341.64 g/mol
Exact Mass340.01
IUPAC Name5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(-c2cncn2C2CC2)nc(Cl)c1Br
InChIInChI=1S/C13H14BrClN4/c1-7(2)11-10(14)12(15)18-13(17-11)9-5-16-6-19(9)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyFUDMEEYDFUTIES-UHFFFAOYSA-N
XLogP4.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine (CID 66311681) is 5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine is CC(C)c1nc(-c2cncn2C2CC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine?
The InChIKey is FUDMEEYDFUTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4/c1-7(2)11-10(14)12(15)18-13(17-11)9-5-16-6-19(9)8-3-4-8/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine has a molecular weight of 341.64 g/mol, XLogP of 4.21, 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-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 66311681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).