6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine

C21H20N8O — CID 69107940

About 6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine

6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 69107940) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
• PubChem CID: 69107940
• Molecular Formula: C21H20N8O
• Molecular Weight: 400.45 g/mol
• Exact Mass: 400.18
• IUPAC Name: 6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
• SMILES: Cc1cc(Nc2ccccn2)nc(N2CCCC2c2cc(-c3ncccn3)no2)n1
• InChI: InChI=1S/C21H20N8O/c1-14-12-19(26-18-7-2-3-8-22-18)27-21(25-14)29-11-4-6-16(29)17-13-15(28-30-17)20-23-9-5-10-24-20/h2-3,5,7-10,12-13,16H,4,6,11H2,1H3,(H,22,25,26,27)
• InChIKey: HVQPCZVVORVFDG-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 105.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.45
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?

The IUPAC name of 6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 69107940) is 6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.

What is the SMILES notation for 6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?

The canonical SMILES for 6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is Cc1cc(Nc2ccccn2)nc(N2CCCC2c2cc(-c3ncccn3)no2)n1.

What is the InChIKey of 6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?

The InChIKey is HVQPCZVVORVFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c1-14-12-19(26-18-7-2-3-8-22-18)27-21(25-14)29-11-4-6-16(29)17-13-15(28-30-17)20-23-9-5-10-24-20/h2-3,5,7-10,12-13,16H,4,6,11H2,1H3,(H,22,25,26,27).

What are the key properties of 6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?

6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 400.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-pyridin-2-yl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 69107940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).