2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine

C13H10N4O2 — CID 103282407

IUPAC2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine
SMILESCc1cn2c(-c3ccccc3[N+](=O)[O-])ccnc2n1
InChIInChI=1S/C13H10N4O2/c1-9-8-16-11(6-7-14-13(16)15-9)10-4-2-3-5-12(10)17(18)19/h2-8H,1H3
InChIKeyBIUMGLJXKQYFNO-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.61
Rot. Bonds2

About 2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine

2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine (PubChem CID 103282407) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine
PubChem CID103282407
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine
SMILESCc1cn2c(-c3ccccc3[N+](=O)[O-])ccnc2n1
InChIInChI=1S/C13H10N4O2/c1-9-8-16-11(6-7-14-13(16)15-9)10-4-2-3-5-12(10)17(18)19/h2-8H,1H3
InChIKeyBIUMGLJXKQYFNO-UHFFFAOYSA-N
XLogP2.61
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.61
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

5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 103200812
N-methyl-7-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 103318266
5-(2-nitrophenyl)-1-propan-2-ylpyrazole
CID 22493341
1-(2-bromo-6-methylphenyl)-5-(2-nitrophenyl)pyrazole
CID 53348998
N-methyl-1-[2-(2-nitrophenyl)pyrimidin-4-yl]methanamine
CID 55109588
[4-(2-nitrophenyl)pyrimidin-2-yl]carbamic acid
CID 139503337
3-methyl-6-(2-nitrophenyl)-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
CID 3702424
ethane;2-(2-nitrophenyl)-1,3-oxazole
CID 91192753
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62191141
1-benzyl-2,5-bis(2-nitrophenyl)pyrrole
CID 141232872
2-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 150456791

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine (CID 103282407) is 2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine is Cc1cn2c(-c3ccccc3[N+](=O)[O-])ccnc2n1.
What is the InChIKey of 2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is BIUMGLJXKQYFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-9-8-16-11(6-7-14-13(16)15-9)10-4-2-3-5-12(10)17(18)19/h2-8H,1H3.
What are the key properties of 2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine?
2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 254.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-nitrophenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 103282407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).