N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide

C21H25N5O2 — CID 92610313

About N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide

N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide (PubChem CID 92610313) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide
• PubChem CID: 92610313
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide
• SMILES: CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)COC)nc(C2CC2)n1
• InChI: InChI=1S/C21H25N5O2/c1-22-19-10-18(25-21(26-19)13-7-8-13)17(24-20(27)12-28-2)9-14-11-23-16-6-4-3-5-15(14)16/h3-6,10-11,13,17,23H,7-9,12H2,1-2H3,(H,24,27)(H,22,25,26)/t17-/m1/s1
• InChIKey: STBXBFXUSBWZOU-QGZVFWFLSA-N
• XLogP: 2.92
• TPSA: 91.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide?

The IUPAC name of N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide (CID 92610313) is N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide.

What is the SMILES notation for N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide?

The canonical SMILES for N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide is CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)COC)nc(C2CC2)n1.

What is the InChIKey of N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide?

The InChIKey is STBXBFXUSBWZOU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-22-19-10-18(25-21(26-19)13-7-8-13)17(24-20(27)12-28-2)9-14-11-23-16-6-4-3-5-15(14)16/h3-6,10-11,13,17,23H,7-9,12H2,1-2H3,(H,24,27)(H,22,25,26)/t17-/m1/s1.

What are the key properties of N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide?

N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide has a molecular weight of 379.46 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide is sourced from PubChem (CID 92610313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).