4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine

C14H14BrClN2O — CID 80973920

IUPAC4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Oc2cccc(Br)c2)n1
InChIInChI=1S/C14H14BrClN2O/c1-3-5-12-17-13(16)9(2)14(18-12)19-11-7-4-6-10(15)8-11/h4,6-8H,3,5H2,1-2H3
InChIKeyURNYMIQKGLKSPI-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.95
Rot. Bonds4

About 4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine

4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine (PubChem CID 80973920) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
PubChem CID80973920
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Oc2cccc(Br)c2)n1
InChIInChI=1S/C14H14BrClN2O/c1-3-5-12-17-13(16)9(2)14(18-12)19-11-7-4-6-10(15)8-11/h4,6-8H,3,5H2,1-2H3
InChIKeyURNYMIQKGLKSPI-UHFFFAOYSA-N
XLogP4.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 81332421
4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine
CID 107169178
4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine
CID 80974213
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine
CID 80973302
4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine
CID 81346219
4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine
CID 81342497
6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80991140
4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine
CID 80973005
4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
CID 80973545
4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine
CID 80975301
6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971215

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine (CID 80973920) is 4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(Oc2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine?
The InChIKey is URNYMIQKGLKSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-3-5-12-17-13(16)9(2)14(18-12)19-11-7-4-6-10(15)8-11/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine?
4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine has a molecular weight of 341.64 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 80973920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).