2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine

C14H14BrClN2 — CID 105407965

IUPAC2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C14H14BrClN2/c1-3-4-11-8-13(16)18-14(17-11)10-6-5-9(2)12(15)7-10/h5-8H,3-4H2,1-2H3
InChIKeySYUJNTXRCPFQEW-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.82
Rot. Bonds3

About 2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine

2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine (PubChem CID 105407965) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine
PubChem CID105407965
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C14H14BrClN2/c1-3-4-11-8-13(16)18-14(17-11)10-6-5-9(2)12(15)7-10/h5-8H,3-4H2,1-2H3
InChIKeySYUJNTXRCPFQEW-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine
CID 115524761
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine
CID 43557667
2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 115568211
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 43804058
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 105408003
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 105407998
N-[[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 114015473
1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 107915616
2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
CID 115565759
2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 63479985
2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 81436026
N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 63486628

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine (CID 105407965) is 2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine is CCCc1cc(Cl)nc(-c2ccc(C)c(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine?
The InChIKey is SYUJNTXRCPFQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-3-4-11-8-13(16)18-14(17-11)10-6-5-9(2)12(15)7-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine?
2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine has a molecular weight of 325.64 g/mol, XLogP of 4.82, 3 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-chloro-6-propylpyrimidine is sourced from PubChem (CID 105407965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).