4-(3-fluorophenyl)-5-nitropyrimidin-2-amine

C10H7FN4O2 — CID 114044546

IUPAC4-(3-fluorophenyl)-5-nitropyrimidin-2-amine
SMILESNc1ncc([N+](=O)[O-])c(-c2cccc(F)c2)n1
InChIInChI=1S/C10H7FN4O2/c11-7-3-1-2-6(4-7)9-8(15(16)17)5-13-10(12)14-9/h1-5H,(H2,12,13,14)
InChIKeyMFBRHQTZDVWYKT-UHFFFAOYSA-N
MW234.19 g/mol
LogP1.77
Rot. Bonds2

About 4-(3-fluorophenyl)-5-nitropyrimidin-2-amine

4-(3-fluorophenyl)-5-nitropyrimidin-2-amine (PubChem CID 114044546) has the molecular formula C10H7FN4O2 and a molecular weight of 234.19 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-nitropyrimidin-2-amine
PubChem CID114044546
Molecular FormulaC10H7FN4O2
Molecular Weight234.19 g/mol
Exact Mass234.06
IUPAC Name4-(3-fluorophenyl)-5-nitropyrimidin-2-amine
SMILESNc1ncc([N+](=O)[O-])c(-c2cccc(F)c2)n1
InChIInChI=1S/C10H7FN4O2/c11-7-3-1-2-6(4-7)9-8(15(16)17)5-13-10(12)14-9/h1-5H,(H2,12,13,14)
InChIKeyMFBRHQTZDVWYKT-UHFFFAOYSA-N
XLogP1.77
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-nitropyrimidin-2-amine?
The IUPAC name of 4-(3-fluorophenyl)-5-nitropyrimidin-2-amine (CID 114044546) is 4-(3-fluorophenyl)-5-nitropyrimidin-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-5-nitropyrimidin-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)-5-nitropyrimidin-2-amine is Nc1ncc([N+](=O)[O-])c(-c2cccc(F)c2)n1.
What is the InChIKey of 4-(3-fluorophenyl)-5-nitropyrimidin-2-amine?
The InChIKey is MFBRHQTZDVWYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2/c11-7-3-1-2-6(4-7)9-8(15(16)17)5-13-10(12)14-9/h1-5H,(H2,12,13,14).
What are the key properties of 4-(3-fluorophenyl)-5-nitropyrimidin-2-amine?
4-(3-fluorophenyl)-5-nitropyrimidin-2-amine has a molecular weight of 234.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 114044546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).