6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine

C10H7FN4O2 — CID 89003117

IUPAC6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine
SMILESNc1cc(Oc2ccc(N=O)cc2F)ncn1
InChIInChI=1S/C10H7FN4O2/c11-7-3-6(15-16)1-2-8(7)17-10-4-9(12)13-5-14-10/h1-5H,(H2,12,13,14)
InChIKeyNCLAQPHSHLUZNC-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.39
Rot. Bonds3

About 6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine

6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine (PubChem CID 89003117) has the molecular formula C10H7FN4O2 and a molecular weight of 234.19 g/mol. Its IUPAC name is 6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine
PubChem CID89003117
Molecular FormulaC10H7FN4O2
Molecular Weight234.19 g/mol
Exact Mass234.06
IUPAC Name6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine
SMILESNc1cc(Oc2ccc(N=O)cc2F)ncn1
InChIInChI=1S/C10H7FN4O2/c11-7-3-6(15-16)1-2-8(7)17-10-4-9(12)13-5-14-10/h1-5H,(H2,12,13,14)
InChIKeyNCLAQPHSHLUZNC-UHFFFAOYSA-N
XLogP2.39
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-fluoro-4-nitrosophenoxy)pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine (CID 89003117) is 6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine is Nc1cc(Oc2ccc(N=O)cc2F)ncn1.
What is the InChIKey of 6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine?
The InChIKey is NCLAQPHSHLUZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2/c11-7-3-6(15-16)1-2-8(7)17-10-4-9(12)13-5-14-10/h1-5H,(H2,12,13,14).
What are the key properties of 6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine?
6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine has a molecular weight of 234.19 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-nitrosophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 89003117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).