2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine

C10H7BrClN3O — CID 61145640

IUPAC2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
SMILESNc1cnc(Oc2ccc(Br)cc2Cl)nc1
InChIInChI=1S/C10H7BrClN3O/c11-6-1-2-9(8(12)3-6)16-10-14-4-7(13)5-15-10/h1-5H,13H2
InChIKeyJPFMYYUPOXQSLY-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.27
Rot. Bonds2

About 2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine

2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine (PubChem CID 61145640) has the molecular formula C10H7BrClN3O and a molecular weight of 300.54 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
PubChem CID61145640
Molecular FormulaC10H7BrClN3O
Molecular Weight300.54 g/mol
Exact Mass298.95
IUPAC Name2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
SMILESNc1cnc(Oc2ccc(Br)cc2Cl)nc1
InChIInChI=1S/C10H7BrClN3O/c11-6-1-2-9(8(12)3-6)16-10-14-4-7(13)5-15-10/h1-5H,13H2
InChIKeyJPFMYYUPOXQSLY-UHFFFAOYSA-N
XLogP3.27
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189144
4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine
CID 106748354
4-(4-bromo-2-chlorophenoxy)-3,5-difluoroaniline
CID 54902585
2-(4-chloronaphthalen-1-yl)oxypyrimidin-5-amine
CID 61147725
6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80882074
[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine
CID 115487175
6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine
CID 80881336
5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 81440012
2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine
CID 61146611
4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine
CID 155316701
4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline
CID 103011509
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine (CID 61145640) is 2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine is Nc1cnc(Oc2ccc(Br)cc2Cl)nc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine?
The InChIKey is JPFMYYUPOXQSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O/c11-6-1-2-9(8(12)3-6)16-10-14-4-7(13)5-15-10/h1-5H,13H2.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine?
2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine has a molecular weight of 300.54 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine is sourced from PubChem (CID 61145640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).