2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine

C14H13BrCl2N2 — CID 103083580

IUPAC2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2ccc(Br)cc2C)nc1Cl
InChIInChI=1S/C14H13BrCl2N2/c1-3-4-11-12(16)18-14(19-13(11)17)10-6-5-9(15)7-8(10)2/h5-7H,3-4H2,1-2H3
InChIKeyHTJUKFGWGSIHTI-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.47
Rot. Bonds3

About 2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine

2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine (PubChem CID 103083580) has the molecular formula C14H13BrCl2N2 and a molecular weight of 360.08 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine
PubChem CID103083580
Molecular FormulaC14H13BrCl2N2
Molecular Weight360.08 g/mol
Exact Mass357.96
IUPAC Name2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2ccc(Br)cc2C)nc1Cl
InChIInChI=1S/C14H13BrCl2N2/c1-3-4-11-12(16)18-14(19-13(11)17)10-6-5-9(15)7-8(10)2/h5-7H,3-4H2,1-2H3
InChIKeyHTJUKFGWGSIHTI-UHFFFAOYSA-N
XLogP5.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 103083583
5-bromo-2-(4-bromo-2-methylphenyl)-6-propylpyrimidin-4-amine
CID 103083787
2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 103083572
2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine
CID 107923785
2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 103083742
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine
CID 63613660
3-(4-bromo-2-methylphenyl)-5-chloro-1H-1,2,4-triazole
CID 103084158
2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine
CID 63611310
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781
4,6-dichloro-2-(2-ethylphenyl)-5-propylpyrimidine
CID 63613349
2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 103083738
2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 103083746

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine (CID 103083580) is 2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine is CCCc1c(Cl)nc(-c2ccc(Br)cc2C)nc1Cl.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine?
The InChIKey is HTJUKFGWGSIHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2/c1-3-4-11-12(16)18-14(19-13(11)17)10-6-5-9(15)7-8(10)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine?
2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine has a molecular weight of 360.08 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine is sourced from PubChem (CID 103083580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).