5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine

C20H15FN6 — CID 90314637

IUPAC5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3-c3cnc(N)nc3)cc2F)cn1
InChIInChI=1S/C20H15FN6/c21-18-7-12(5-6-17(18)14-10-26-20(23)27-11-14)15-3-1-2-4-16(15)13-8-24-19(22)25-9-13/h1-11H,(H2,22,24,25)(H2,23,26,27)
InChIKeyKGZOHCYPNXSTKO-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.57
Rot. Bonds3

About 5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine

5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine (PubChem CID 90314637) has the molecular formula C20H15FN6 and a molecular weight of 358.38 g/mol. Its IUPAC name is 5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine
PubChem CID90314637
Molecular FormulaC20H15FN6
Molecular Weight358.38 g/mol
Exact Mass358.13
IUPAC Name5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3-c3cnc(N)nc3)cc2F)cn1
InChIInChI=1S/C20H15FN6/c21-18-7-12(5-6-17(18)14-10-26-20(23)27-11-14)15-3-1-2-4-16(15)13-8-24-19(22)25-9-13/h1-11H,(H2,22,24,25)(H2,23,26,27)
InChIKeyKGZOHCYPNXSTKO-UHFFFAOYSA-N
XLogP3.57
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-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-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine (CID 90314637) is 5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3ccccc3-c3cnc(N)nc3)cc2F)cn1.
What is the InChIKey of 5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine?
The InChIKey is KGZOHCYPNXSTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6/c21-18-7-12(5-6-17(18)14-10-26-20(23)27-11-14)15-3-1-2-4-16(15)13-8-24-19(22)25-9-13/h1-11H,(H2,22,24,25)(H2,23,26,27).
What are the key properties of 5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine?
5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine has a molecular weight of 358.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-aminopyrimidin-5-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine is sourced from PubChem (CID 90314637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).