2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide

C26H33FN6O2 — CID 154971142

About 2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide

2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 154971142) has the molecular formula C26H33FN6O2 and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 154971142
• Molecular Formula: C26H33FN6O2
• Molecular Weight: 480.59 g/mol
• Exact Mass: 480.26
• IUPAC Name: 2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CC(C)C1(n2c(C(=O)N(C)C)cc3cnc(Nc4ccc(N5CCOCC5)c(F)c4)nc32)CCC1
• InChI: InChI=1S/C26H33FN6O2/c1-17(2)26(8-5-9-26)33-22(24(34)31(3)4)14-18-16-28-25(30-23(18)33)29-19-6-7-21(20(27)15-19)32-10-12-35-13-11-32/h6-7,14-17H,5,8-13H2,1-4H3,(H,28,29,30)
• InChIKey: RRVYFOHJGBZMPI-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 75.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.59
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 154971142) is 2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide is CC(C)C1(n2c(C(=O)N(C)C)cc3cnc(Nc4ccc(N5CCOCC5)c(F)c4)nc32)CCC1.

What is the InChIKey of 2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is RRVYFOHJGBZMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O2/c1-17(2)26(8-5-9-26)33-22(24(34)31(3)4)14-18-16-28-25(30-23(18)33)29-19-6-7-21(20(27)15-19)32-10-12-35-13-11-32/h6-7,14-17H,5,8-13H2,1-4H3,(H,28,29,30).

What are the key properties of 2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide?

2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 154971142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).