4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine

C13H12BrClN2O — CID 80948066

IUPAC4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C13H12BrClN2O/c1-8(2)13-16-11(15)7-12(17-13)18-10-5-3-4-9(14)6-10/h3-8H,1-2H3
InChIKeyQSKCIEDWGKYYQR-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.81
Rot. Bonds3

About 4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine

4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine (PubChem CID 80948066) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
PubChem CID80948066
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C13H12BrClN2O/c1-8(2)13-16-11(15)7-12(17-13)18-10-5-3-4-9(14)6-10/h3-8H,1-2H3
InChIKeyQSKCIEDWGKYYQR-UHFFFAOYSA-N
XLogP4.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-chlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948656
4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
CID 80944180
4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine
CID 80944929
4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80949504
4-(4-tert-butylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944176
2-bromo-6-(3-bromophenoxy)pyridine
CID 63962984
4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948461
4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine
CID 80949225
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
4-chloro-2-propan-2-yl-6-[2-(trifluoromethyl)phenoxy]pyrimidine
CID 80944790
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566735
N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 62321632

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine (CID 80948066) is 4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)cc(Oc2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine?
The InChIKey is QSKCIEDWGKYYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-8(2)13-16-11(15)7-12(17-13)18-10-5-3-4-9(14)6-10/h3-8H,1-2H3.
What are the key properties of 4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine?
4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine has a molecular weight of 327.61 g/mol, XLogP of 4.81, 3 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-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80948066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).