N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide

C19H28N6O3 — CID 129337954

About N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide (PubChem CID 129337954) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide
• PubChem CID: 129337954
• Molecular Formula: C19H28N6O3
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.22
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide
• SMILES: Cc1cc(NC(=O)CN(C)c2nccc(N[C@@H]3CCCO[C@@H]3C(C)C)n2)no1
• InChI: InChI=1S/C19H28N6O3/c1-12(2)18-14(6-5-9-27-18)21-15-7-8-20-19(23-15)25(4)11-17(26)22-16-10-13(3)28-24-16/h7-8,10,12,14,18H,5-6,9,11H2,1-4H3,(H,20,21,23)(H,22,24,26)/t14-,18-/m1/s1
• InChIKey: MIPCMPCQLUAZBH-RDTXWAMCSA-N
• XLogP: 2.46
• TPSA: 105.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide (CID 129337954) is N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide is Cc1cc(NC(=O)CN(C)c2nccc(N[C@@H]3CCCO[C@@H]3C(C)C)n2)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide?

The InChIKey is MIPCMPCQLUAZBH-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-12(2)18-14(6-5-9-27-18)21-15-7-8-20-19(23-15)25(4)11-17(26)22-16-10-13(3)28-24-16/h7-8,10,12,14,18H,5-6,9,11H2,1-4H3,(H,20,21,23)(H,22,24,26)/t14-,18-/m1/s1.

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide?

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide has a molecular weight of 388.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 129337954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).