5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine

C25H26FN9O — CID 166626586

IUPAC5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2ncc(N3CCOCC3)nc2c1
InChIInChI=1S/C25H26FN9O/c26-19-15-30-25(32-22-4-2-18(14-29-22)34-7-5-27-6-8-34)33-24(19)17-1-3-20-21(13-17)31-23(16-28-20)35-9-11-36-12-10-35/h1-4,13-16,27H,5-12H2,(H,29,30,32,33)
InChIKeyZINMQNQKXGNWQN-UHFFFAOYSA-N
MW487.54 g/mol
LogP2.61
Rot. Bonds5

About 5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine

5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 166626586) has the molecular formula C25H26FN9O and a molecular weight of 487.54 g/mol. Its IUPAC name is 5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
PubChem CID166626586
Molecular FormulaC25H26FN9O
Molecular Weight487.54 g/mol
Exact Mass487.22
IUPAC Name5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2ncc(N3CCOCC3)nc2c1
InChIInChI=1S/C25H26FN9O/c26-19-15-30-25(32-22-4-2-18(14-29-22)34-7-5-27-6-8-34)33-24(19)17-1-3-20-21(13-17)31-23(16-28-20)35-9-11-36-12-10-35/h1-4,13-16,27H,5-12H2,(H,29,30,32,33)
InChIKeyZINMQNQKXGNWQN-UHFFFAOYSA-N
XLogP2.61
TPSA104.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)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-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine (CID 166626586) is 5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine is Fc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2ncc(N3CCOCC3)nc2c1.
What is the InChIKey of 5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is ZINMQNQKXGNWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN9O/c26-19-15-30-25(32-22-4-2-18(14-29-22)34-7-5-27-6-8-34)33-24(19)17-1-3-20-21(13-17)31-23(16-28-20)35-9-11-36-12-10-35/h1-4,13-16,27H,5-12H2,(H,29,30,32,33).
What are the key properties of 5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 487.54 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 166626586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).