N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine

C15H10BrN5O3 — CID 22532209

IUPACN-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccccc2Br)ncnc1Oc1cccnc1
InChIInChI=1S/C15H10BrN5O3/c16-11-5-1-2-6-12(11)20-14-13(21(22)23)15(19-9-18-14)24-10-4-3-7-17-8-10/h1-9H,(H,18,19,20)
InChIKeyBYIKYEWIXDMLJF-UHFFFAOYSA-N
MW388.18 g/mol
LogP4.08
Rot. Bonds5

About N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine

N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine (PubChem CID 22532209) has the molecular formula C15H10BrN5O3 and a molecular weight of 388.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
PubChem CID22532209
Molecular FormulaC15H10BrN5O3
Molecular Weight388.18 g/mol
Exact Mass387.00
IUPAC NameN-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccccc2Br)ncnc1Oc1cccnc1
InChIInChI=1S/C15H10BrN5O3/c16-11-5-1-2-6-12(11)20-14-13(21(22)23)15(19-9-18-14)24-10-4-3-7-17-8-10/h1-9H,(H,18,19,20)
InChIKeyBYIKYEWIXDMLJF-UHFFFAOYSA-N
XLogP4.08
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(3,5-dimethylphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23479525
N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22534167
N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23494864
N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493822
5-nitro-N-(4-phenyldiazenylphenyl)-6-pyridin-3-yloxypyrimidin-4-amine
CID 22529109
N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine
CID 22537398
N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23480933
N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide
CID 22537114
N-butan-2-yl-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22538087
N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 23477333
N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine
CID 22530963
6-(4-bromophenoxy)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine
CID 23482786

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
The IUPAC name of N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine (CID 22532209) is N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
The canonical SMILES for N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine is O=[N+]([O-])c1c(Nc2ccccc2Br)ncnc1Oc1cccnc1.
What is the InChIKey of N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
The InChIKey is BYIKYEWIXDMLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5O3/c16-11-5-1-2-6-12(11)20-14-13(21(22)23)15(19-9-18-14)24-10-4-3-7-17-8-10/h1-9H,(H,18,19,20).
What are the key properties of N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine has a molecular weight of 388.18 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine is sourced from PubChem (CID 22532209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).