N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

C21H20ClFN6O — CID 58876715

IUPACN-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cccc(Cl)c1-c1ccnc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1
InChIInChI=1S/C21H20ClFN6O/c1-14-3-2-4-17(22)19(14)15-5-6-24-16(11-15)12-26-28-21-25-13-18(23)20(27-21)29-7-9-30-10-8-29/h2-6,11-13H,7-10H2,1H3,(H,25,27,28)/b26-12-
InChIKeyGWSJBUPCXGTHTP-ZRGSRPPYSA-N
MW426.88 g/mol
LogP3.92
Rot. Bonds5

About N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 58876715) has the molecular formula C21H20ClFN6O and a molecular weight of 426.88 g/mol. Its IUPAC name is N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID58876715
Molecular FormulaC21H20ClFN6O
Molecular Weight426.88 g/mol
Exact Mass426.14
IUPAC NameN-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cccc(Cl)c1-c1ccnc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1
InChIInChI=1S/C21H20ClFN6O/c1-14-3-2-4-17(22)19(14)15-5-6-24-16(11-15)12-26-28-21-25-13-18(23)20(27-21)29-7-9-30-10-8-29/h2-6,11-13H,7-10H2,1H3,(H,25,27,28)/b26-12-
InChIKeyGWSJBUPCXGTHTP-ZRGSRPPYSA-N
XLogP3.92
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-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 N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (CID 58876715) is N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is Cc1cccc(Cl)c1-c1ccnc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1.
What is the InChIKey of N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is GWSJBUPCXGTHTP-ZRGSRPPYSA-N. The full InChI is InChI=1S/C21H20ClFN6O/c1-14-3-2-4-17(22)19(14)15-5-6-24-16(11-15)12-26-28-21-25-13-18(23)20(27-21)29-7-9-30-10-8-29/h2-6,11-13H,7-10H2,1H3,(H,25,27,28)/b26-12-.
What are the key properties of N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 426.88 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(2-chloro-6-methylphenyl)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 58876715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).