5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine

C19H19FN6O2 — CID 46879633

IUPAC5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine
SMILESNc1nc(OC2CCN(c3cc(Oc4ccccc4)ncn3)CC2)ncc1F
InChIInChI=1S/C19H19FN6O2/c20-15-11-22-19(25-18(15)21)28-14-6-8-26(9-7-14)16-10-17(24-12-23-16)27-13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2,(H2,21,22,25)
InChIKeyUVYXGIKORJAKAT-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.83
Rot. Bonds5

About 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine

5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine (PubChem CID 46879633) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine
PubChem CID46879633
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine
SMILESNc1nc(OC2CCN(c3cc(Oc4ccccc4)ncn3)CC2)ncc1F
InChIInChI=1S/C19H19FN6O2/c20-15-11-22-19(25-18(15)21)28-14-6-8-26(9-7-14)16-10-17(24-12-23-16)27-13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2,(H2,21,22,25)
InChIKeyUVYXGIKORJAKAT-UHFFFAOYSA-N
XLogP2.83
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-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 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine (CID 46879633) is 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine is Nc1nc(OC2CCN(c3cc(Oc4ccccc4)ncn3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine?
The InChIKey is UVYXGIKORJAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-15-11-22-19(25-18(15)21)28-14-6-8-26(9-7-14)16-10-17(24-12-23-16)27-13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2,(H2,21,22,25).
What are the key properties of 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine?
5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine has a molecular weight of 382.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine is sourced from PubChem (CID 46879633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).