6-ethyl-2-[(2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C21H23N9O2 — CID 69237511

About 6-ethyl-2-[(2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

6-ethyl-2-[(2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 69237511) has the molecular formula C21H23N9O2 and a molecular weight of 433.48 g/mol. Its IUPAC name is 6-ethyl-2-[(2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-ethyl-2-[(2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• PubChem CID: 69237511
• Molecular Formula: C21H23N9O2
• Molecular Weight: 433.48 g/mol
• Exact Mass: 433.20
• IUPAC Name: 6-ethyl-2-[(2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• SMILES: CCc1cc(Nc2cc(C)[nH]n2)nc(N2CC[C@H]2c2cc(-c3nccnc3OC)no2)n1
• InChI: InChI=1S/C21H23N9O2/c1-4-13-10-17(25-18-9-12(2)27-28-18)26-21(24-13)30-8-5-15(30)16-11-14(29-32-16)19-20(31-3)23-7-6-22-19/h6-7,9-11,15H,4-5,8H2,1-3H3,(H2,24,25,26,27,28)/t15-/m0/s1
• InChIKey: VOSXHPDCARMWEV-HNNXBMFYSA-N
• XLogP: 3.22
• TPSA: 130.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.48
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-ethyl-2-[(2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 69237511) is 6-ethyl-2-[(2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

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

The canonical SMILES for 6-ethyl-2-[(2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CCc1cc(Nc2cc(C)[nH]n2)nc(N2CC[C@H]2c2cc(-c3nccnc3OC)no2)n1.

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

The InChIKey is VOSXHPDCARMWEV-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N9O2/c1-4-13-10-17(25-18-9-12(2)27-28-18)26-21(24-13)30-8-5-15(30)16-11-14(29-32-16)19-20(31-3)23-7-6-22-19/h6-7,9-11,15H,4-5,8H2,1-3H3,(H2,24,25,26,27,28)/t15-/m0/s1.

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

6-ethyl-2-[(2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 433.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-2-[(2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 69237511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).