6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine

C10H5Br3N4O3 — CID 116797883

IUPAC6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine
SMILESNc1cc(Br)nc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)n1
InChIInChI=1S/C10H5Br3N4O3/c11-5-1-4(17(18)19)2-6(12)9(5)20-10-15-7(13)3-8(14)16-10/h1-3H,(H2,14,15,16)
InChIKeyFETFHWOYCXBFBF-UHFFFAOYSA-N
MW468.89 g/mol
LogP4.05
Rot. Bonds3

About 6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine

6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine (PubChem CID 116797883) has the molecular formula C10H5Br3N4O3 and a molecular weight of 468.89 g/mol. Its IUPAC name is 6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine
PubChem CID116797883
Molecular FormulaC10H5Br3N4O3
Molecular Weight468.89 g/mol
Exact Mass465.79
IUPAC Name6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine
SMILESNc1cc(Br)nc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)n1
InChIInChI=1S/C10H5Br3N4O3/c11-5-1-4(17(18)19)2-6(12)9(5)20-10-15-7(13)3-8(14)16-10/h1-3H,(H2,14,15,16)
InChIKeyFETFHWOYCXBFBF-UHFFFAOYSA-N
XLogP4.05
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.89
LogP ≤ 54.05
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

6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine
CID 116798026
4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine
CID 80740183
2-(2,6-dibromo-4-nitrophenoxy)pyrimidine-4-carbonitrile
CID 107545902
2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 63587249
6-(2-bromophenoxy)-4-nitropyridin-2-amine
CID 114071337
2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine
CID 79633381
5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 62098836
6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine
CID 116797683
6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid
CID 62253740
6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
CID 116798064
5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine
CID 104536753
6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80873263

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine (CID 116797883) is 6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine is Nc1cc(Br)nc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)n1.
What is the InChIKey of 6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is FETFHWOYCXBFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br3N4O3/c11-5-1-4(17(18)19)2-6(12)9(5)20-10-15-7(13)3-8(14)16-10/h1-3H,(H2,14,15,16).
What are the key properties of 6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine?
6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 468.89 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 116797883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).