6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine

C10H6BrClN4O3 — CID 80878552

IUPAC6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine
SMILESNc1ncnc(Oc2cc(Br)ccc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H6BrClN4O3/c11-5-1-2-6(12)7(3-5)19-10-8(16(17)18)9(13)14-4-15-10/h1-4H,(H2,13,14,15)
InChIKeyLWKSBUJWUNOKID-UHFFFAOYSA-N
MW345.54 g/mol
LogP3.18
Rot. Bonds3

About 6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine

6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine (PubChem CID 80878552) has the molecular formula C10H6BrClN4O3 and a molecular weight of 345.54 g/mol. Its IUPAC name is 6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine
PubChem CID80878552
Molecular FormulaC10H6BrClN4O3
Molecular Weight345.54 g/mol
Exact Mass343.93
IUPAC Name6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine
SMILESNc1ncnc(Oc2cc(Br)ccc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H6BrClN4O3/c11-5-1-2-6(12)7(3-5)19-10-8(16(17)18)9(13)14-4-15-10/h1-4H,(H2,13,14,15)
InChIKeyLWKSBUJWUNOKID-UHFFFAOYSA-N
XLogP3.18
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine
CID 62101505
6-(4-chloro-2,6-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 80862723
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
6-(3-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-amine
CID 80876132
3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine
CID 79534868
6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine
CID 80883095
6-(2,5-dichlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 112725368
[6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80921308
4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine
CID 107098107
5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine
CID 66318033
1-[4-(6-amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
CID 3611764
5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
CID 80880013

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine (CID 80878552) is 6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine is Nc1ncnc(Oc2cc(Br)ccc2Cl)c1[N+](=O)[O-].
What is the InChIKey of 6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine?
The InChIKey is LWKSBUJWUNOKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN4O3/c11-5-1-2-6(12)7(3-5)19-10-8(16(17)18)9(13)14-4-15-10/h1-4H,(H2,13,14,15).
What are the key properties of 6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine?
6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine has a molecular weight of 345.54 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80878552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).