6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine

C13H14N4O3 — CID 80879991

IUPAC6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(Oc2cc(C)c([N+](=O)[O-])cc2C)n1
InChIInChI=1S/C13H14N4O3/c1-7-5-11(8(2)4-10(7)17(18)19)20-13-6-12(14)15-9(3)16-13/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyGAZRDPGMRCBRBO-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.68
Rot. Bonds3

About 6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine

6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine (PubChem CID 80879991) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine
PubChem CID80879991
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(Oc2cc(C)c([N+](=O)[O-])cc2C)n1
InChIInChI=1S/C13H14N4O3/c1-7-5-11(8(2)4-10(7)17(18)19)20-13-6-12(14)15-9(3)16-13/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyGAZRDPGMRCBRBO-UHFFFAOYSA-N
XLogP2.68
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.68
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 6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-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-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875828
6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80876831
6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 102703887
4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
CID 114416597
2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine
CID 63180759
5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine
CID 80880830
6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 114418468
3,6-dichloro-5-(2,5-dimethyl-4-nitrophenoxy)-1,2,4-triazine
CID 81036467
2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 60726441
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80862541
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine (CID 80879991) is 6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine is Cc1nc(N)cc(Oc2cc(C)c([N+](=O)[O-])cc2C)n1.
What is the InChIKey of 6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine?
The InChIKey is GAZRDPGMRCBRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-7-5-11(8(2)4-10(7)17(18)19)20-13-6-12(14)15-9(3)16-13/h4-6H,1-3H3,(H2,14,15,16).
What are the key properties of 6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine?
6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine has a molecular weight of 274.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80879991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).