ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate

C24H25N7O4 — CID 171626579

About ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate

ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate (PubChem CID 171626579) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate
• PubChem CID: 171626579
• Molecular Formula: C24H25N7O4
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.20
• IUPAC Name: ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate
• SMILES: CCOC(=O)c1cnc(Nc2ccccn2)nc1Nc1cccc(-c2nnc(C(C)C)o2)c1OC
• InChI: InChI=1S/C24H25N7O4/c1-5-34-23(32)16-13-26-24(28-18-11-6-7-12-25-18)29-20(16)27-17-10-8-9-15(19(17)33-4)22-31-30-21(35-22)14(2)3/h6-14H,5H2,1-4H3,(H2,25,26,27,28,29)
• InChIKey: YEJMYIKCQGYVLJ-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 137.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate?

The IUPAC name of ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate (CID 171626579) is ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate?

The canonical SMILES for ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(Nc2ccccn2)nc1Nc1cccc(-c2nnc(C(C)C)o2)c1OC.

What is the InChIKey of ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate?

The InChIKey is YEJMYIKCQGYVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-5-34-23(32)16-13-26-24(28-18-11-6-7-12-25-18)29-20(16)27-17-10-8-9-15(19(17)33-4)22-31-30-21(35-22)14(2)3/h6-14H,5H2,1-4H3,(H2,25,26,27,28,29).

What are the key properties of ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate?

ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate has a molecular weight of 475.51 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 171626579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).