2-chloro-5-nitro-4-phenylmethoxypyrimidine

C11H8ClN3O3 — CID 86731374

IUPAC2-chloro-5-nitro-4-phenylmethoxypyrimidine
SMILESO=[N+]([O-])c1cnc(Cl)nc1OCc1ccccc1
InChIInChI=1S/C11H8ClN3O3/c12-11-13-6-9(15(16)17)10(14-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyGTBXDTJOKDXBOH-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.62
Rot. Bonds4

About 2-chloro-5-nitro-4-phenylmethoxypyrimidine

2-chloro-5-nitro-4-phenylmethoxypyrimidine (PubChem CID 86731374) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 2-chloro-5-nitro-4-phenylmethoxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-nitro-4-phenylmethoxypyrimidine
PubChem CID86731374
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name2-chloro-5-nitro-4-phenylmethoxypyrimidine
SMILESO=[N+]([O-])c1cnc(Cl)nc1OCc1ccccc1
InChIInChI=1S/C11H8ClN3O3/c12-11-13-6-9(15(16)17)10(14-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyGTBXDTJOKDXBOH-UHFFFAOYSA-N
XLogP2.62
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2,4-Diamino-6-benzyloxy-5-nitrosopyrimidine
CID 181029
6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine
CID 9860003
6-(4-Ethylphenoxy)-5-nitropyrimidin-4-amine
CID 2960274
6-(4-Methylphenoxy)-5-nitropyrimidin-4-amine
CID 3454625
2-Amino-4-benzyloxy-5-nitropyrimidine
CID 10263922
5-Nitroso-6-(4-fluorobenzyloxy)pyrimidine-2,4-diamine
CID 10264728
2-(4-Butoxyphenyl)-5-nitropyrimidine
CID 612346
6-(4-Fluoro-benzyloxy)-5-nitro-pyrimidine-2,4-diamine
CID 10731331
6-(2-Methylphenoxy)-5-nitropyrimidin-4-amine
CID 4131957
4-(2-Fluorophenoxy)-5-nitropyrimidin-2-amine
CID 4431891
4-Amino-6-benzyloxy-5-nitropyrimidine
CID 10105947
2-Chloro-5-nitro-4-phenoxypyrimidine
CID 58243056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-4-phenylmethoxypyrimidine?
The IUPAC name of 2-chloro-5-nitro-4-phenylmethoxypyrimidine (CID 86731374) is 2-chloro-5-nitro-4-phenylmethoxypyrimidine.
What is the SMILES notation for 2-chloro-5-nitro-4-phenylmethoxypyrimidine?
The canonical SMILES for 2-chloro-5-nitro-4-phenylmethoxypyrimidine is O=[N+]([O-])c1cnc(Cl)nc1OCc1ccccc1.
What is the InChIKey of 2-chloro-5-nitro-4-phenylmethoxypyrimidine?
The InChIKey is GTBXDTJOKDXBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-11-13-6-9(15(16)17)10(14-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 2-chloro-5-nitro-4-phenylmethoxypyrimidine?
2-chloro-5-nitro-4-phenylmethoxypyrimidine has a molecular weight of 265.66 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-4-phenylmethoxypyrimidine is sourced from PubChem (CID 86731374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).