5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine

C11H10N4O3 — CID 80875420

IUPAC5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
SMILESCc1c(N)ncnc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O3/c1-7-10(12)13-6-14-11(7)18-9-5-3-2-4-8(9)15(16)17/h2-6H,1H3,(H2,12,13,14)
InChIKeyMSHRNWGCZUTAHV-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.07
Rot. Bonds3

About 5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine

5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine (PubChem CID 80875420) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
PubChem CID80875420
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
SMILESCc1c(N)ncnc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O3/c1-7-10(12)13-6-14-11(7)18-9-5-3-2-4-8(9)15(16)17/h2-6H,1H3,(H2,12,13,14)
InChIKeyMSHRNWGCZUTAHV-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 5-methyl-6-(2-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

5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 80873761
5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine
CID 20595468
6-(2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80864729
5-methyl-2-(2-nitrophenoxy)pyridin-3-amine
CID 114051048
6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103013798
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80863928
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine
CID 80883095
5-ethyl-N-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875427
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
3-bromo-2-(2-nitrophenoxy)pyridine
CID 61373940

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine (CID 80875420) is 5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine is Cc1c(N)ncnc1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is MSHRNWGCZUTAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-7-10(12)13-6-14-11(7)18-9-5-3-2-4-8(9)15(16)17/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine?
5-methyl-6-(2-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 5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80875420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).