2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

C22H27N5O2 — CID 109338064

About 2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 109338064) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
• PubChem CID: 109338064
• Molecular Formula: C22H27N5O2
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.22
• IUPAC Name: 2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
• SMILES: Cc1cc(C(=O)Nc2cc(C)on2)nc(Nc2c(C(C)C)cccc2C(C)C)n1
• InChI: InChI=1S/C22H27N5O2/c1-12(2)16-8-7-9-17(13(3)4)20(16)26-22-23-14(5)10-18(24-22)21(28)25-19-11-15(6)29-27-19/h7-13H,1-6H3,(H,23,24,26)(H,25,27,28)
• InChIKey: UITREOSOJMFWMQ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?

The IUPAC name of 2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 109338064) is 2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

What is the SMILES notation for 2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?

The canonical SMILES for 2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cc(C)on2)nc(Nc2c(C(C)C)cccc2C(C)C)n1.

What is the InChIKey of 2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?

The InChIKey is UITREOSOJMFWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-12(2)16-8-7-9-17(13(3)4)20(16)26-22-23-14(5)10-18(24-22)21(28)25-19-11-15(6)29-27-19/h7-13H,1-6H3,(H,23,24,26)(H,25,27,28).

What are the key properties of 2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?

2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-di(propan-2-yl)anilino]-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).