4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine

C14H14BrClN2O — CID 82824581

IUPAC4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C14H14BrClN2O/c1-2-3-13-17-12(16)8-14(18-13)19-9-10-4-6-11(15)7-5-10/h4-8H,2-3,9H2,1H3
InChIKeyLXMSBHZWWQITFB-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.42
Rot. Bonds5

About 4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine

4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine (PubChem CID 82824581) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine
PubChem CID82824581
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C14H14BrClN2O/c1-2-3-13-17-12(16)8-14(18-13)19-9-10-4-6-11(15)7-5-10/h4-8H,2-3,9H2,1H3
InChIKeyLXMSBHZWWQITFB-UHFFFAOYSA-N
XLogP4.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine
CID 82824807
4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155
4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine
CID 104561317
6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine
CID 82825534
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
CID 80938179
4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine
CID 80945263
4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
CID 80938340
4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine
CID 80939932
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
CID 80938307

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine (CID 82824581) is 4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine is CCCc1nc(Cl)cc(OCc2ccc(Br)cc2)n1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine?
The InChIKey is LXMSBHZWWQITFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-2-3-13-17-12(16)8-14(18-13)19-9-10-4-6-11(15)7-5-10/h4-8H,2-3,9H2,1H3.
What are the key properties of 4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine?
4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine has a molecular weight of 341.64 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine is sourced from PubChem (CID 82824581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).