2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide

C26H40N10O2 — CID 89406435

About 2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide

2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 89406435) has the molecular formula C26H40N10O2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
• PubChem CID: 89406435
• Molecular Formula: C26H40N10O2
• Molecular Weight: 524.67 g/mol
• Exact Mass: 524.33
• IUPAC Name: 2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
• SMILES: CCCC1N(OC)N=NN1c1cccc(Nc2ncc(C(N)=O)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)c1
• InChI: InChI=1S/C26H40N10O2/c1-8-10-21-35(32-33-36(21)38-7)19-12-9-11-17(13-19)30-24-28-16-20(22(27)37)23(31-24)29-18-14-25(2,3)34(6)26(4,5)15-18/h9,11-13,16,18,21H,8,10,14-15H2,1-7H3,(H2,27,37)(H2,28,29,30,31)
• InChIKey: WBGKVJGJRYTEIG-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 136.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.67
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide?

The IUPAC name of 2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide (CID 89406435) is 2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide.

What is the SMILES notation for 2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide?

The canonical SMILES for 2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide is CCCC1N(OC)N=NN1c1cccc(Nc2ncc(C(N)=O)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)c1.

What is the InChIKey of 2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide?

The InChIKey is WBGKVJGJRYTEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N10O2/c1-8-10-21-35(32-33-36(21)38-7)19-12-9-11-17(13-19)30-24-28-16-20(22(27)37)23(31-24)29-18-14-25(2,3)34(6)26(4,5)15-18/h9,11-13,16,18,21H,8,10,14-15H2,1-7H3,(H2,27,37)(H2,28,29,30,31).

What are the key properties of 2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide?

2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 524.67 g/mol, XLogP of 4.47, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 89406435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).