4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine

C16H12N4O5 — CID 22538100

IUPAC4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine
SMILESCOc1ccccc1Oc1ncnc(Oc2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O5/c1-23-12-6-2-3-7-13(12)25-16-14(20(21)22)15(18-10-19-16)24-11-5-4-8-17-9-11/h2-10H,1H3
InChIKeyFLWKMCSEVXQFHA-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.37
Rot. Bonds6

About 4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine

4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine (PubChem CID 22538100) has the molecular formula C16H12N4O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine
PubChem CID22538100
Molecular FormulaC16H12N4O5
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine
SMILESCOc1ccccc1Oc1ncnc(Oc2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O5/c1-23-12-6-2-3-7-13(12)25-16-14(20(21)22)15(18-10-19-16)24-11-5-4-8-17-9-11/h2-10H,1H3
InChIKeyFLWKMCSEVXQFHA-UHFFFAOYSA-N
XLogP3.37
TPSA109.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23494864
methyl 4-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]oxybenzoate
CID 23483451
N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine
CID 22527014
N-(3,5-dimethylphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23479525
4-(2-methoxyphenoxy)-5-nitro-6-phenylsulfanylpyrimidine
CID 22534103
6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
CID 22531140
N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22532209
N-butan-2-yl-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22538087
5-nitro-4-pyridin-3-yloxy-1H-pyrimidin-6-one
CID 22537481
N-[(4-fluorophenyl)methyl]-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22538076
N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23480933
4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine
CID 3864052

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine?
The IUPAC name of 4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine (CID 22538100) is 4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine.
What is the SMILES notation for 4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine?
The canonical SMILES for 4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine is COc1ccccc1Oc1ncnc(Oc2cccnc2)c1[N+](=O)[O-].
What is the InChIKey of 4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine?
The InChIKey is FLWKMCSEVXQFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O5/c1-23-12-6-2-3-7-13(12)25-16-14(20(21)22)15(18-10-19-16)24-11-5-4-8-17-9-11/h2-10H,1H3.
What are the key properties of 4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine?
4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine has a molecular weight of 340.30 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine is sourced from PubChem (CID 22538100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).