2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine

C13H10N4O3 — CID 703407

IUPAC2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILESO=[N+]([O-])c1ccccc1OCc1cn2cccnc2n1
InChIInChI=1S/C13H10N4O3/c18-17(19)11-4-1-2-5-12(11)20-9-10-8-16-7-3-6-14-13(16)15-10/h1-8H,9H2
InChIKeyLGPVXTCLAFMYFA-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.22
Rot. Bonds4

About 2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine

2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine (PubChem CID 703407) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine
PubChem CID703407
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILESO=[N+]([O-])c1ccccc1OCc1cn2cccnc2n1
InChIInChI=1S/C13H10N4O3/c18-17(19)11-4-1-2-5-12(11)20-9-10-8-16-7-3-6-14-13(16)15-10/h1-8H,9H2
InChIKeyLGPVXTCLAFMYFA-UHFFFAOYSA-N
XLogP2.22
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
CID 708797
3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
CID 708792
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
7-[(2-nitrophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2500347
[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259014
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 79489516
3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole
CID 9013397
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80875312
N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine
CID 62195082
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine (CID 703407) is 2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine is O=[N+]([O-])c1ccccc1OCc1cn2cccnc2n1.
What is the InChIKey of 2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is LGPVXTCLAFMYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-17(19)11-4-1-2-5-12(11)20-9-10-8-16-7-3-6-14-13(16)15-10/h1-8H,9H2.
What are the key properties of 2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine?
2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 270.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 703407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).