2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine

C11H10N4O3 — CID 116797824

IUPAC2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1nccc(N)n1
InChIInChI=1S/C11H10N4O3/c1-7-2-3-8(15(16)17)6-9(7)18-11-13-5-4-10(12)14-11/h2-6H,1H3,(H2,12,13,14)
InChIKeyHHSBKZMFOQNXFW-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.07
Rot. Bonds3

About 2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine

2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine (PubChem CID 116797824) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine
PubChem CID116797824
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1nccc(N)n1
InChIInChI=1S/C11H10N4O3/c1-7-2-3-8(15(16)17)6-9(7)18-11-13-5-4-10(12)14-11/h2-6H,1H3,(H2,12,13,14)
InChIKeyHHSBKZMFOQNXFW-UHFFFAOYSA-N
XLogP2.07
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
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'}

Analyze 2-(2-methyl-5-nitrophenoxy)pyrimidin-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

2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine
CID 80878884
8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80878888
2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine
CID 79251179
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
CID 141213326
2-(2-methyl-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551225
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016
4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine
CID 80878871
2-(4-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 116797992
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
CID 79075514
6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine
CID 80878866
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 113413889

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine (CID 116797824) is 2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine is Cc1ccc([N+](=O)[O-])cc1Oc1nccc(N)n1.
What is the InChIKey of 2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is HHSBKZMFOQNXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-7-2-3-8(15(16)17)6-9(7)18-11-13-5-4-10(12)14-11/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine?
2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 246.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 116797824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).