6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine

C13H13FN4O3 — CID 114418468

IUPAC6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(Oc2cc(C)c([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C13H13FN4O3/c1-6-4-11(9(14)5-10(6)18(19)20)21-13-7(2)12(15)16-8(3)17-13/h4-5H,1-3H3,(H2,15,16,17)
InChIKeyCGYWQAAUWSHREU-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.82
Rot. Bonds3

About 6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine

6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine (PubChem CID 114418468) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is 6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
PubChem CID114418468
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(Oc2cc(C)c([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C13H13FN4O3/c1-6-4-11(9(14)5-10(6)18(19)20)21-13-7(2)12(15)16-8(3)17-13/h4-5H,1-3H3,(H2,15,16,17)
InChIKeyCGYWQAAUWSHREU-UHFFFAOYSA-N
XLogP2.82
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.82
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

6-(2,5-difluoro-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80880713
4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
CID 114416597
6-(4-bromo-2-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80876605
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383
4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole
CID 114416576
2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethoxy]ethanethiol
CID 114418329
6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
CID 114417002
2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 114416610
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-4-carbonitrile
CID 114416620
1-fluoro-4-methyl-5-nitro-2-(trifluoromethoxy)benzene
CID 134628194
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide
CID 114416866
6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80879991

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine (CID 114418468) is 6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine is Cc1nc(N)c(C)c(Oc2cc(C)c([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is CGYWQAAUWSHREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c1-6-4-11(9(14)5-10(6)18(19)20)21-13-7(2)12(15)16-8(3)17-13/h4-5H,1-3H3,(H2,15,16,17).
What are the key properties of 6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine?
6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 292.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 114418468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).