2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine

C11H9IN4O3 — CID 133355791

IUPAC2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine
SMILESCc1ccc(I)c(Oc2ncc([N+](=O)[O-])c(N)n2)c1
InChIInChI=1S/C11H9IN4O3/c1-6-2-3-7(12)9(4-6)19-11-14-5-8(16(17)18)10(13)15-11/h2-5H,1H3,(H2,13,14,15)
InChIKeyKAERSKDGINPJLB-UHFFFAOYSA-N
MW372.12 g/mol
LogP2.67
Rot. Bonds3

About 2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine

2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine (PubChem CID 133355791) has the molecular formula C11H9IN4O3 and a molecular weight of 372.12 g/mol. Its IUPAC name is 2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine
PubChem CID133355791
Molecular FormulaC11H9IN4O3
Molecular Weight372.12 g/mol
Exact Mass371.97
IUPAC Name2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine
SMILESCc1ccc(I)c(Oc2ncc([N+](=O)[O-])c(N)n2)c1
InChIInChI=1S/C11H9IN4O3/c1-6-2-3-7(12)9(4-6)19-11-14-5-8(16(17)18)10(13)15-11/h2-5H,1H3,(H2,13,14,15)
InChIKeyKAERSKDGINPJLB-UHFFFAOYSA-N
XLogP2.67
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
2-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-5-nitropyrimidine-2,4-diamine
CID 133347372
[4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80912368
N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide
CID 133348022
2-(2-iodophenoxy)-5-methyl-4-nitropyridine
CID 83269728
N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80879033
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
CID 66320498
[6-(5-methyl-2-nitrophenoxy)pyrazin-2-yl]hydrazine
CID 80920526
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine (CID 133355791) is 2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine is Cc1ccc(I)c(Oc2ncc([N+](=O)[O-])c(N)n2)c1.
What is the InChIKey of 2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine?
The InChIKey is KAERSKDGINPJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN4O3/c1-6-2-3-7(12)9(4-6)19-11-14-5-8(16(17)18)10(13)15-11/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine?
2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine has a molecular weight of 372.12 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-5-methylphenoxy)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 133355791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).