N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide

C19H21N5O2 — CID 109268195

About N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109268195) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
• PubChem CID: 109268195
• Molecular Formula: C19H21N5O2
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.17
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
• SMILES: Cc1cc(NC(=O)c2cnc(Nc3c(C)cccc3C(C)C)nc2)no1
• InChI: InChI=1S/C19H21N5O2/c1-11(2)15-7-5-6-12(3)17(15)23-19-20-9-14(10-21-19)18(25)22-16-8-13(4)26-24-16/h5-11H,1-4H3,(H,20,21,23)(H,22,24,25)
• InChIKey: ABZGMBVUCCOWBW-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109268195) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(Nc3c(C)cccc3C(C)C)nc2)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide?

The InChIKey is ABZGMBVUCCOWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11(2)15-7-5-6-12(3)17(15)23-19-20-9-14(10-21-19)18(25)22-16-8-13(4)26-24-16/h5-11H,1-4H3,(H,20,21,23)(H,22,24,25).

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide?

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).