(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C21H22ClN5O2 — CID 124983324

About (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 124983324) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 124983324
• Molecular Formula: C21H22ClN5O2
• Molecular Weight: 411.89 g/mol
• Exact Mass: 411.15
• IUPAC Name: (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)nc(N)n1
• InChI: InChI=1S/C21H22ClN5O2/c1-13-8-18(26-21(23)25-13)20(28)27-7-3-5-15(12-27)19-24-11-17(29-19)10-14-4-2-6-16(22)9-14/h2,4,6,8-9,11,15H,3,5,7,10,12H2,1H3,(H2,23,25,26)/t15-/m1/s1
• InChIKey: NCXPMYXHIVMYBB-OAHLLOKOSA-N
• XLogP: 3.62
• TPSA: 98.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.89
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 124983324) is (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)nc(N)n1.

What is the InChIKey of (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is NCXPMYXHIVMYBB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-13-8-18(26-21(23)25-13)20(28)27-7-3-5-15(12-27)19-24-11-17(29-19)10-14-4-2-6-16(22)9-14/h2,4,6,8-9,11,15H,3,5,7,10,12H2,1H3,(H2,23,25,26)/t15-/m1/s1.

What are the key properties of (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 411.89 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124983324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).