5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C28H27N7O2 — CID 155535315

IUPAC5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCNc1cc(-c2c[nH]c3nc(Nc4ccc(N5CCOCC5)cc4)nc(Oc4ccccc4)c23)ccn1
InChIInChI=1S/C28H27N7O2/c1-29-24-17-19(11-12-30-24)23-18-31-26-25(23)27(37-22-5-3-2-4-6-22)34-28(33-26)32-20-7-9-21(10-8-20)35-13-15-36-16-14-35/h2-12,17-18H,13-16H2,1H3,(H,29,30)(H2,31,32,33,34)
InChIKeyBUTXVRSKNPOPGH-UHFFFAOYSA-N
MW493.57 g/mol
LogP5.43
Rot. Bonds7

About 5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 155535315) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID155535315
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Name5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCNc1cc(-c2c[nH]c3nc(Nc4ccc(N5CCOCC5)cc4)nc(Oc4ccccc4)c23)ccn1
InChIInChI=1S/C28H27N7O2/c1-29-24-17-19(11-12-30-24)23-18-31-26-25(23)27(37-22-5-3-2-4-6-22)34-28(33-26)32-20-7-9-21(10-8-20)35-13-15-36-16-14-35/h2-12,17-18H,13-16H2,1H3,(H,29,30)(H2,31,32,33,34)
InChIKeyBUTXVRSKNPOPGH-UHFFFAOYSA-N
XLogP5.43
TPSA100.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]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-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 155535315) is 5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CNc1cc(-c2c[nH]c3nc(Nc4ccc(N5CCOCC5)cc4)nc(Oc4ccccc4)c23)ccn1.
What is the InChIKey of 5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is BUTXVRSKNPOPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-29-24-17-19(11-12-30-24)23-18-31-26-25(23)27(37-22-5-3-2-4-6-22)34-28(33-26)32-20-7-9-21(10-8-20)35-13-15-36-16-14-35/h2-12,17-18H,13-16H2,1H3,(H,29,30)(H2,31,32,33,34).
What are the key properties of 5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 493.57 g/mol, XLogP of 5.43, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)-4-pyridinyl]-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 155535315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).