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

C11H9FN4O3 — CID 114418383

IUPAC4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
SMILESCc1cc(Oc2ccnc(N)n2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H9FN4O3/c1-6-4-9(7(12)5-8(6)16(17)18)19-10-2-3-14-11(13)15-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyXKDRDLWYVKCPTA-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.21
Rot. Bonds3

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

4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine (PubChem CID 114418383) has the molecular formula C11H9FN4O3 and a molecular weight of 264.22 g/mol. Its IUPAC name is 4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
PubChem CID114418383
Molecular FormulaC11H9FN4O3
Molecular Weight264.22 g/mol
Exact Mass264.07
IUPAC Name4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
SMILESCc1cc(Oc2ccnc(N)n2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H9FN4O3/c1-6-4-9(7(12)5-8(6)16(17)18)19-10-2-3-14-11(13)15-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyXKDRDLWYVKCPTA-UHFFFAOYSA-N
XLogP2.21
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.21
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

4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
CID 114416597
2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
CID 112754869
6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 114418468
[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 114418608
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114417003
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid
CID 114416377
4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine
CID 80879396
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-4-carbonitrile
CID 114416620
2-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 114417001
4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole
CID 114416576
[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine
CID 114417368

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of 4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine (CID 114418383) is 4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine is Cc1cc(Oc2ccnc(N)n2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is XKDRDLWYVKCPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3/c1-6-4-9(7(12)5-8(6)16(17)18)19-10-2-3-14-11(13)15-10/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine?
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine has a molecular weight of 264.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 114418383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).