5-fluoro-2-phenylpyrimidin-4-amine

C10H8FN3 — CID 824615

IUPAC5-fluoro-2-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)ncc1F
InChIInChI=1S/C10H8FN3/c11-8-6-13-10(14-9(8)12)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKeyZPWKNHOKRBABAP-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.86
Rot. Bonds1

About 5-fluoro-2-phenylpyrimidin-4-amine

5-fluoro-2-phenylpyrimidin-4-amine (PubChem CID 824615) has the molecular formula C10H8FN3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 5-fluoro-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-phenylpyrimidin-4-amine
PubChem CID824615
Molecular FormulaC10H8FN3
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name5-fluoro-2-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)ncc1F
InChIInChI=1S/C10H8FN3/c11-8-6-13-10(14-9(8)12)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKeyZPWKNHOKRBABAP-UHFFFAOYSA-N
XLogP1.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-phenylpyrimidin-4-amine (CID 824615) is 5-fluoro-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-phenylpyrimidin-4-amine is Nc1nc(-c2ccccc2)ncc1F.
What is the InChIKey of 5-fluoro-2-phenylpyrimidin-4-amine?
The InChIKey is ZPWKNHOKRBABAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3/c11-8-6-13-10(14-9(8)12)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14).
What are the key properties of 5-fluoro-2-phenylpyrimidin-4-amine?
5-fluoro-2-phenylpyrimidin-4-amine has a molecular weight of 189.19 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 824615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).