6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine

C25H31FN6O — CID 121266113

IUPAC6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine
SMILESCNc1cc(-c2ccc3ncnc(NC4CCC(N5CCO[C@H](C)C5)CC4)c3c2)cnc1F
InChIInChI=1S/C25H31FN6O/c1-16-14-32(9-10-33-16)20-6-4-19(5-7-20)31-25-21-11-17(3-8-22(21)29-15-30-25)18-12-23(27-2)24(26)28-13-18/h3,8,11-13,15-16,19-20,27H,4-7,9-10,14H2,1-2H3,(H,29,30,31)/t16-,19?,20?/m1/s1
InChIKeyCILQDKATQFNLIC-PBPGXSGUSA-N
MW450.56 g/mol
LogP4.32
Rot. Bonds5

About 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine

6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine (PubChem CID 121266113) has the molecular formula C25H31FN6O and a molecular weight of 450.56 g/mol. Its IUPAC name is 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine
PubChem CID121266113
Molecular FormulaC25H31FN6O
Molecular Weight450.56 g/mol
Exact Mass450.25
IUPAC Name6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine
SMILESCNc1cc(-c2ccc3ncnc(NC4CCC(N5CCO[C@H](C)C5)CC4)c3c2)cnc1F
InChIInChI=1S/C25H31FN6O/c1-16-14-32(9-10-33-16)20-6-4-19(5-7-20)31-25-21-11-17(3-8-22(21)29-15-30-25)18-12-23(27-2)24(26)28-13-18/h3,8,11-13,15-16,19-20,27H,4-7,9-10,14H2,1-2H3,(H,29,30,31)/t16-,19?,20?/m1/s1
InChIKeyCILQDKATQFNLIC-PBPGXSGUSA-N
XLogP4.32
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-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-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine?
The IUPAC name of 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine (CID 121266113) is 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine.
What is the SMILES notation for 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine?
The canonical SMILES for 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine is CNc1cc(-c2ccc3ncnc(NC4CCC(N5CCO[C@H](C)C5)CC4)c3c2)cnc1F.
What is the InChIKey of 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine?
The InChIKey is CILQDKATQFNLIC-PBPGXSGUSA-N. The full InChI is InChI=1S/C25H31FN6O/c1-16-14-32(9-10-33-16)20-6-4-19(5-7-20)31-25-21-11-17(3-8-22(21)29-15-30-25)18-12-23(27-2)24(26)28-13-18/h3,8,11-13,15-16,19-20,27H,4-7,9-10,14H2,1-2H3,(H,29,30,31)/t16-,19?,20?/m1/s1.
What are the key properties of 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine?
6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine has a molecular weight of 450.56 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-[4-[(2R)-2-methylmorpholin-4-yl]cyclohexyl]quinazolin-4-amine is sourced from PubChem (CID 121266113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).