5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine

C14H14BrClN2O — CID 66315167

IUPAC5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine
SMILESCOCCCc1nc(Cl)c(Br)c(-c2ccccc2)n1
InChIInChI=1S/C14H14BrClN2O/c1-19-9-5-8-11-17-13(12(15)14(16)18-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyRSJVWSBDUNGXTK-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.14
Rot. Bonds5

About 5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine

5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine (PubChem CID 66315167) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine
PubChem CID66315167
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine
SMILESCOCCCc1nc(Cl)c(Br)c(-c2ccccc2)n1
InChIInChI=1S/C14H14BrClN2O/c1-19-9-5-8-11-17-13(12(15)14(16)18-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyRSJVWSBDUNGXTK-UHFFFAOYSA-N
XLogP4.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 66294302
5-bromo-N-ethyl-2-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 66292092
5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine
CID 66293231
5-bromo-4-chloro-2-(methylsulfonylmethyl)-6-phenylpyrimidine
CID 66315174
5-bromo-4-chloro-2-(3-methoxypropyl)-6-propan-2-ylpyrimidine
CID 66292799
5-bromo-N-ethyl-2-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
CID 66294729
4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine
CID 79421873
5-iodo-2-(2-methoxyethyl)-N-methyl-6-phenylpyrimidin-4-amine
CID 66292297
4-bromo-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole
CID 67384797
5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine
CID 66294342
4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine
CID 104845821
5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine
CID 66294937

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine (CID 66315167) is 5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine is COCCCc1nc(Cl)c(Br)c(-c2ccccc2)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine?
The InChIKey is RSJVWSBDUNGXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-19-9-5-8-11-17-13(12(15)14(16)18-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine?
5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine has a molecular weight of 341.64 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(3-methoxypropyl)-6-phenylpyrimidine is sourced from PubChem (CID 66315167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).