3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

C24H34N6O2 — CID 110264929

About 3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 110264929) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

• Compound Name: 3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
• PubChem CID: 110264929
• Molecular Formula: C24H34N6O2
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.27
• IUPAC Name: 3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
• SMILES: Cc1cc(Nc2nc(C)cc(C)n2)cc(C2CCCN(CCC(=O)N3CCOCC3)C2)n1
• InChI: InChI=1S/C24H34N6O2/c1-17-13-18(2)27-24(26-17)28-21-14-19(3)25-22(15-21)20-5-4-7-29(16-20)8-6-23(31)30-9-11-32-12-10-30/h13-15,20H,4-12,16H2,1-3H3,(H,25,26,27,28)
• InChIKey: MXHQKFXWBIJUNG-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?

The IUPAC name of 3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 110264929) is 3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

What is the SMILES notation for 3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?

The canonical SMILES for 3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is Cc1cc(Nc2nc(C)cc(C)n2)cc(C2CCCN(CCC(=O)N3CCOCC3)C2)n1.

What is the InChIKey of 3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?

The InChIKey is MXHQKFXWBIJUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-17-13-18(2)27-24(26-17)28-21-14-19(3)25-22(15-21)20-5-4-7-29(16-20)8-6-23(31)30-9-11-32-12-10-30/h13-15,20H,4-12,16H2,1-3H3,(H,25,26,27,28).

What are the key properties of 3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?

3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 438.58 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 110264929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).