2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

C19H26N6O2 — CID 125003739

About 2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 125003739) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 125003739
• Molecular Formula: C19H26N6O2
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.21
• IUPAC Name: 2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
• SMILES: COC(C)(C)C(=O)N1CCC[C@@H](c2cc(Nc3ncccn3)nc(C)n2)C1
• InChI: InChI=1S/C19H26N6O2/c1-13-22-15(11-16(23-13)24-18-20-8-6-9-21-18)14-7-5-10-25(12-14)17(26)19(2,3)27-4/h6,8-9,11,14H,5,7,10,12H2,1-4H3,(H,20,21,22,23,24)/t14-/m1/s1
• InChIKey: STPNOPHIIGTGMQ-CQSZACIVSA-N
• XLogP: 2.45
• TPSA: 93.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 125003739) is 2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is COC(C)(C)C(=O)N1CCC[C@@H](c2cc(Nc3ncccn3)nc(C)n2)C1.

What is the InChIKey of 2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

The InChIKey is STPNOPHIIGTGMQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-22-15(11-16(23-13)24-18-20-8-6-9-21-18)14-7-5-10-25(12-14)17(26)19(2,3)27-4/h6,8-9,11,14H,5,7,10,12H2,1-4H3,(H,20,21,22,23,24)/t14-/m1/s1.

What are the key properties of 2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?

2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 370.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 125003739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).