6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine

C13H14N4O3 — CID 106681492

IUPAC6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine
SMILESCOc1cc(C)cc(C)c1-c1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3/c1-7-4-8(2)10(9(5-7)20-3)11-12(17(18)19)13(14)16-6-15-11/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyVGZYGCAVUKKFKS-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.26
Rot. Bonds3

About 6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine

6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine (PubChem CID 106681492) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine
PubChem CID106681492
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine
SMILESCOc1cc(C)cc(C)c1-c1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3/c1-7-4-8(2)10(9(5-7)20-3)11-12(17(18)19)13(14)16-6-15-11/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyVGZYGCAVUKKFKS-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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'}

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Related Compounds

5-methoxy-6-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-amine
CID 106681516
5-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 115503502
4-N-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 2960174
6-(4-chloro-2,6-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 80862723
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine
CID 82478111
5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine
CID 106681496
2-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 106681484
4-N-(4-fluoro-2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 80804524
4-N-(3-bromo-4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 80847443
6-methoxy-4-methyl-8-nitroquinolin-7-amine
CID 593976
6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine
CID 80883095

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine (CID 106681492) is 6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine is COc1cc(C)cc(C)c1-c1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine?
The InChIKey is VGZYGCAVUKKFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-7-4-8(2)10(9(5-7)20-3)11-12(17(18)19)13(14)16-6-15-11/h4-6H,1-3H3,(H2,14,15,16).
What are the key properties of 6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine?
6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine has a molecular weight of 274.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 106681492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).