2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C22H25N9O2 — CID 11951309

About 2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 11951309) has the molecular formula C22H25N9O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• PubChem CID: 11951309
• Molecular Formula: C22H25N9O2
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.21
• IUPAC Name: 2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• SMILES: CCc1nccnc1-c1cc([C@@H]2CCCN2c2nc(Nc3cc(C)[nH]n3)cc(OC)n2)on1
• InChI: InChI=1S/C22H25N9O2/c1-4-14-21(24-8-7-23-14)15-11-17(33-30-15)16-6-5-9-31(16)22-26-18(12-20(27-22)32-3)25-19-10-13(2)28-29-19/h7-8,10-12,16H,4-6,9H2,1-3H3,(H2,25,26,27,28,29)/t16-/m0/s1
• InChIKey: LEARLZVWTXKFGV-INIZCTEOSA-N
• XLogP: 3.61
• TPSA: 130.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The IUPAC name of 2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 11951309) is 2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

What is the SMILES notation for 2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The canonical SMILES for 2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CCc1nccnc1-c1cc([C@@H]2CCCN2c2nc(Nc3cc(C)[nH]n3)cc(OC)n2)on1.

What is the InChIKey of 2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The InChIKey is LEARLZVWTXKFGV-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N9O2/c1-4-14-21(24-8-7-23-14)15-11-17(33-30-15)16-6-5-9-31(16)22-26-18(12-20(27-22)32-3)25-19-10-13(2)28-29-19/h7-8,10-12,16H,4-6,9H2,1-3H3,(H2,25,26,27,28,29)/t16-/m0/s1.

What are the key properties of 2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 447.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 11951309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).