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

C22H27N5O — CID 92553189

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

N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide (PubChem CID 92553189) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
• PubChem CID: 92553189
• Molecular Formula: C22H27N5O
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.22
• IUPAC Name: N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
• SMILES: CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)nc(C2CC2)n1
• InChI: InChI=1S/C22H27N5O/c1-13(2)22(28)26-18(10-15-12-24-17-7-5-4-6-16(15)17)19-11-20(23-3)27-21(25-19)14-8-9-14/h4-7,11-14,18,24H,8-10H2,1-3H3,(H,26,28)(H,23,25,27)/t18-/m0/s1
• InChIKey: KUDIFRPJAIYORT-SFHVURJKSA-N
• XLogP: 3.93
• TPSA: 82.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide (CID 92553189) is N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide.

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

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

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

The InChIKey is KUDIFRPJAIYORT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N5O/c1-13(2)22(28)26-18(10-15-12-24-17-7-5-4-6-16(15)17)19-11-20(23-3)27-21(25-19)14-8-9-14/h4-7,11-14,18,24H,8-10H2,1-3H3,(H,26,28)(H,23,25,27)/t18-/m0/s1.

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

N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide has a molecular weight of 377.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 92553189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).