N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine

C19H12ClN5O3 — CID 23482219

IUPACN-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(Cl)cn2)ncnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C19H12ClN5O3/c20-14-6-8-16(21-10-14)24-18-17(25(26)27)19(23-11-22-18)28-15-7-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,21,22,23,24)
InChIKeyHGOQAZXNMOXTDD-UHFFFAOYSA-N
MW393.79 g/mol
LogP5.12
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine

N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine (PubChem CID 23482219) has the molecular formula C19H12ClN5O3 and a molecular weight of 393.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
PubChem CID23482219
Molecular FormulaC19H12ClN5O3
Molecular Weight393.79 g/mol
Exact Mass393.06
IUPAC NameN-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(Cl)cn2)ncnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C19H12ClN5O3/c20-14-6-8-16(21-10-14)24-18-17(25(26)27)19(23-11-22-18)28-15-7-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,21,22,23,24)
InChIKeyHGOQAZXNMOXTDD-UHFFFAOYSA-N
XLogP5.12
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.79
LogP ≤ 55.12
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-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
CID 23493980
N-(2,3-dimethylphenyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 23482188
N-benzyl-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 23482147
N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)naphthalene-1-carbohydrazide
CID 23482270
N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 23482279
4-(4-methylphenoxy)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23482286
N'-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)pyridine-3-carbohydrazide
CID 23482274
4-N-(5-chloro-2-pyridinyl)-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485493
4-N-(5-chloro-2-pyridinyl)-6-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23494626
N-(3-chlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine
CID 22532545
N-(3,5-dichlorophenyl)-6-(4-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 23483672
4-(3,5-dimethylphenoxy)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23479109

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine (CID 23482219) is N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Nc2ccc(Cl)cn2)ncnc1Oc1ccc2ccccc2c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine?
The InChIKey is HGOQAZXNMOXTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5O3/c20-14-6-8-16(21-10-14)24-18-17(25(26)27)19(23-11-22-18)28-15-7-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,21,22,23,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine?
N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine has a molecular weight of 393.79 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23482219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).