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

C15H9Cl2N5O3 — CID 22534167

IUPACN-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(Cl)cc2Cl)ncnc1Oc1cccnc1
InChIInChI=1S/C15H9Cl2N5O3/c16-9-3-4-12(11(17)6-9)21-14-13(22(23)24)15(20-8-19-14)25-10-2-1-5-18-7-10/h1-8H,(H,19,20,21)
InChIKeyNSOOWCBQMKRLTQ-UHFFFAOYSA-N
MW378.18 g/mol
LogP4.62
Rot. Bonds5

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

N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine (PubChem CID 22534167) has the molecular formula C15H9Cl2N5O3 and a molecular weight of 378.18 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
PubChem CID22534167
Molecular FormulaC15H9Cl2N5O3
Molecular Weight378.18 g/mol
Exact Mass377.01
IUPAC NameN-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(Cl)cc2Cl)ncnc1Oc1cccnc1
InChIInChI=1S/C15H9Cl2N5O3/c16-9-3-4-12(11(17)6-9)21-14-13(22(23)24)15(20-8-19-14)25-10-2-1-5-18-7-10/h1-8H,(H,19,20,21)
InChIKeyNSOOWCBQMKRLTQ-UHFFFAOYSA-N
XLogP4.62
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 54.62
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-(2,4-dichlorophenyl)-6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 22534200
N-(3,5-dimethylphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23479525
N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22532209
N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23494864
5-nitro-N-(4-phenyldiazenylphenyl)-6-pyridin-3-yloxypyrimidin-4-amine
CID 22529109
N-(3-chlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine
CID 22532545
N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine
CID 22537398
N-(5-chloro-2-methylphenyl)-6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 23479126
N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23480933
N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine
CID 22530963
6-(4-chloro-3,5-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)-5-nitropyrimidin-4-amine
CID 23485989
6-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)-5-nitropyrimidin-4-amine
CID 22532089

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine (CID 22534167) is N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine is O=[N+]([O-])c1c(Nc2ccc(Cl)cc2Cl)ncnc1Oc1cccnc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
The InChIKey is NSOOWCBQMKRLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N5O3/c16-9-3-4-12(11(17)6-9)21-14-13(22(23)24)15(20-8-19-14)25-10-2-1-5-18-7-10/h1-8H,(H,19,20,21).
What are the key properties of N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine has a molecular weight of 378.18 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine is sourced from PubChem (CID 22534167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).