4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine

C10H6BrClN4O3 — CID 103013780

IUPAC4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine
SMILESNc1ncc(Cl)c(Oc2cc([N+](=O)[O-])ccc2Br)n1
InChIInChI=1S/C10H6BrClN4O3/c11-6-2-1-5(16(17)18)3-8(6)19-9-7(12)4-14-10(13)15-9/h1-4H,(H2,13,14,15)
InChIKeyXMQPPTFBMWYNNZ-UHFFFAOYSA-N
MW345.54 g/mol
LogP3.18
Rot. Bonds3

About 4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine

4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine (PubChem CID 103013780) has the molecular formula C10H6BrClN4O3 and a molecular weight of 345.54 g/mol. Its IUPAC name is 4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine
PubChem CID103013780
Molecular FormulaC10H6BrClN4O3
Molecular Weight345.54 g/mol
Exact Mass343.93
IUPAC Name4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine
SMILESNc1ncc(Cl)c(Oc2cc([N+](=O)[O-])ccc2Br)n1
InChIInChI=1S/C10H6BrClN4O3/c11-6-2-1-5(16(17)18)3-8(6)19-9-7(12)4-14-10(13)15-9/h1-4H,(H2,13,14,15)
InChIKeyXMQPPTFBMWYNNZ-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

5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103013798
5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine
CID 80880830
4-(4-bromo-2-methyl-6-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 80878479
5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-amine
CID 80870955
2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
CID 114053316
5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80871149
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398
5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine
CID 66318033
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
CID 79075514
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961
4-(2-bromo-5-nitrophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 103013829

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine?
The IUPAC name of 4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine (CID 103013780) is 4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine?
The canonical SMILES for 4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine is Nc1ncc(Cl)c(Oc2cc([N+](=O)[O-])ccc2Br)n1.
What is the InChIKey of 4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine?
The InChIKey is XMQPPTFBMWYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN4O3/c11-6-2-1-5(16(17)18)3-8(6)19-9-7(12)4-14-10(13)15-9/h1-4H,(H2,13,14,15).
What are the key properties of 4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine?
4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-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 4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine is sourced from PubChem (CID 103013780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).