N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine

C19H12BrN5O3 — CID 23479921

IUPACN-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(Br)cn2)ncnc1Oc1cccc2ccccc12
InChIInChI=1S/C19H12BrN5O3/c20-13-8-9-16(21-10-13)24-18-17(25(26)27)19(23-11-22-18)28-15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,21,22,23,24)
InChIKeyJEHGVQDIDZTGFR-UHFFFAOYSA-N
MW438.24 g/mol
LogP5.23
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine

N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine (PubChem CID 23479921) has the molecular formula C19H12BrN5O3 and a molecular weight of 438.24 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
PubChem CID23479921
Molecular FormulaC19H12BrN5O3
Molecular Weight438.24 g/mol
Exact Mass437.01
IUPAC NameN-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(Br)cn2)ncnc1Oc1cccc2ccccc12
InChIInChI=1S/C19H12BrN5O3/c20-13-8-9-16(21-10-13)24-18-17(25(26)27)19(23-11-22-18)28-15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,21,22,23,24)
InChIKeyJEHGVQDIDZTGFR-UHFFFAOYSA-N
XLogP5.23
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.24
LogP ≤ 55.23
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)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
CID 23479337
N-[4-[(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)amino]phenyl]acetamide
CID 23480000
4-N-(5-bromo-2-pyridinyl)-6-N-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482445
N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
CID 23493980
4-N-(5-bromo-2-pyridinyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 22531383
N-(4-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493830
N-(5-bromo-2-pyridinyl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22531392
ethyl 3-[(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)amino]benzoate
CID 23480002
N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
CID 23479852
6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
CID 22531140
2,4-dichloro-N'-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)benzohydrazide
CID 23479972
N-(5-chloro-2-pyridinyl)-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 23482219

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine (CID 23479921) is N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Nc2ccc(Br)cn2)ncnc1Oc1cccc2ccccc12.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine?
The InChIKey is JEHGVQDIDZTGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN5O3/c20-13-8-9-16(21-10-13)24-18-17(25(26)27)19(23-11-22-18)28-15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,21,22,23,24).
What are the key properties of N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine?
N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine has a molecular weight of 438.24 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23479921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).