2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine

C14H13BrCl2N2 — CID 105407998

IUPAC2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
SMILESCc1ccc(-c2nc(Cl)c(C(C)C)c(Cl)n2)cc1Br
InChIInChI=1S/C14H13BrCl2N2/c1-7(2)11-12(16)18-14(19-13(11)17)9-5-4-8(3)10(15)6-9/h4-7H,1-3H3
InChIKeyFPORNQXQAVQSGR-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.64
Rot. Bonds2

About 2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine

2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine (PubChem CID 105407998) has the molecular formula C14H13BrCl2N2 and a molecular weight of 360.08 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
PubChem CID105407998
Molecular FormulaC14H13BrCl2N2
Molecular Weight360.08 g/mol
Exact Mass357.96
IUPAC Name2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
SMILESCc1ccc(-c2nc(Cl)c(C(C)C)c(Cl)n2)cc1Br
InChIInChI=1S/C14H13BrCl2N2/c1-7(2)11-12(16)18-14(19-13(11)17)9-5-4-8(3)10(15)6-9/h4-7H,1-3H3
InChIKeyFPORNQXQAVQSGR-UHFFFAOYSA-N
XLogP5.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 105408003
2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612334
4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine
CID 55247364
3-(3-bromo-4-methylphenyl)-5-(1-chloroethyl)-1,2,4-oxadiazole
CID 107916206
4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine
CID 115527508
2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine
CID 105407965
1-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 104881000
3-(3-bromo-4-methylphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 81471748
5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine
CID 113490535
2-(7-bromo-1,3-benzodioxol-5-yl)-4-chloro-6-methyl-5-propan-2-ylpyrimidine
CID 63405600
1-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 107915755
5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 105410427

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine (CID 105407998) is 2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine is Cc1ccc(-c2nc(Cl)c(C(C)C)c(Cl)n2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine?
The InChIKey is FPORNQXQAVQSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2/c1-7(2)11-12(16)18-14(19-13(11)17)9-5-4-8(3)10(15)6-9/h4-7H,1-3H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine?
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine has a molecular weight of 360.08 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine is sourced from PubChem (CID 105407998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).