(2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one

C26H30N6O — CID 92551197

About (2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one

(2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 92551197) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
• PubChem CID: 92551197
• Molecular Formula: C26H30N6O
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.25
• IUPAC Name: (2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
• SMILES: C[C@H](C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1)N1CCCC1
• InChI: InChI=1S/C26H30N6O/c1-19(31-15-5-6-16-31)26(33)32-17-7-10-23(32)25-29-22(20-11-13-27-14-12-20)18-24(30-25)28-21-8-3-2-4-9-21/h2-4,8-9,11-14,18-19,23H,5-7,10,15-17H2,1H3,(H,28,29,30)/t19-,23-/m1/s1
• InChIKey: QYNZWUREGWOSCQ-AUSIDOKSSA-N
• XLogP: 4.43
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?

The IUPAC name of (2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one (CID 92551197) is (2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one.

What is the SMILES notation for (2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?

The canonical SMILES for (2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one is C[C@H](C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1)N1CCCC1.

What is the InChIKey of (2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?

The InChIKey is QYNZWUREGWOSCQ-AUSIDOKSSA-N. The full InChI is InChI=1S/C26H30N6O/c1-19(31-15-5-6-16-31)26(33)32-17-7-10-23(32)25-29-22(20-11-13-27-14-12-20)18-24(30-25)28-21-8-3-2-4-9-21/h2-4,8-9,11-14,18-19,23H,5-7,10,15-17H2,1H3,(H,28,29,30)/t19-,23-/m1/s1.

What are the key properties of (2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?

(2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 442.57 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 92551197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).