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

C21H25N5O2 — CID 109359764

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

6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 109359764) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
• PubChem CID: 109359764
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: 6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
• SMILES: Cc1cc(NC(=O)c2cc(Nc3c(C(C)C)cccc3C(C)C)ncn2)no1
• InChI: InChI=1S/C21H25N5O2/c1-12(2)15-7-6-8-16(13(3)4)20(15)24-18-10-17(22-11-23-18)21(27)25-19-9-14(5)28-26-19/h6-13H,1-5H3,(H,22,23,24)(H,25,26,27)
• InChIKey: QVJDNVSTPCCPIW-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 109359764) is 6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

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

The canonical SMILES for 6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is Cc1cc(NC(=O)c2cc(Nc3c(C(C)C)cccc3C(C)C)ncn2)no1.

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

The InChIKey is QVJDNVSTPCCPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-12(2)15-7-6-8-16(13(3)4)20(15)24-18-10-17(22-11-23-18)21(27)25-19-9-14(5)28-26-19/h6-13H,1-5H3,(H,22,23,24)(H,25,26,27).

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

6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).