4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine

C14H14BrClN2 — CID 80975301

IUPAC4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H14BrClN2/c1-3-4-12-17-13(9(2)14(16)18-12)10-5-7-11(15)8-6-10/h5-8H,3-4H2,1-2H3
InChIKeyALEICIDPUVHFPE-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.82
Rot. Bonds3

About 4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine

4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine (PubChem CID 80975301) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine
PubChem CID80975301
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H14BrClN2/c1-3-4-12-17-13(9(2)14(16)18-12)10-5-7-11(15)8-6-10/h5-8H,3-4H2,1-2H3
InChIKeyALEICIDPUVHFPE-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-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine
CID 80974653
6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline
CID 81230739
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
4-chloro-6-(5-fluoro-3-pyridinyl)-5-methyl-2-propylpyrimidine
CID 80974828
4-chloro-6-(2-fluoro-5-methylphenyl)-5-methyl-2-propylpyrimidine
CID 80975531
4-chloro-2-ethyl-6-(4-methoxyphenyl)-5-methylpyrimidine
CID 80975849
4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine
CID 80974938
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine
CID 115502941
6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80969852
4-chloro-6-(2,4-difluorophenyl)-5-methyl-2-propylpyrimidine
CID 80974834
4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine
CID 104739134
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine (CID 80975301) is 4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(-c2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine?
The InChIKey is ALEICIDPUVHFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-3-4-12-17-13(9(2)14(16)18-12)10-5-7-11(15)8-6-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine?
4-(4-bromophenyl)-6-chloro-5-methyl-2-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 4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 80975301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).