2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine

C13H11BrCl2N2 — CID 63612334

IUPAC2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(-c2ccc(Br)cc2)nc1Cl
InChIInChI=1S/C13H11BrCl2N2/c1-7(2)10-11(15)17-13(18-12(10)16)8-3-5-9(14)6-4-8/h3-7H,1-2H3
InChIKeyGKTWUUPLPIJBJW-UHFFFAOYSA-N
MW346.06 g/mol
LogP5.34
Rot. Bonds2

About 2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine

2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine (PubChem CID 63612334) has the molecular formula C13H11BrCl2N2 and a molecular weight of 346.06 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
PubChem CID63612334
Molecular FormulaC13H11BrCl2N2
Molecular Weight346.06 g/mol
Exact Mass343.95
IUPAC Name2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(-c2ccc(Br)cc2)nc1Cl
InChIInChI=1S/C13H11BrCl2N2/c1-7(2)10-11(15)17-13(18-12(10)16)8-3-5-9(14)6-4-8/h3-7H,1-2H3
InChIKeyGKTWUUPLPIJBJW-UHFFFAOYSA-N
XLogP5.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.06
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine (CID 63612334) is 2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)nc(-c2ccc(Br)cc2)nc1Cl.
What is the InChIKey of 2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine?
The InChIKey is GKTWUUPLPIJBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2/c1-7(2)10-11(15)17-13(18-12(10)16)8-3-5-9(14)6-4-8/h3-7H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine?
2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine has a molecular weight of 346.06 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63612334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).