2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol

C32H44N6O4 — CID 16735520

About 2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol

2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 16735520) has the molecular formula C32H44N6O4 and a molecular weight of 576.74 g/mol. Its IUPAC name is 2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol
• PubChem CID: 16735520
• Molecular Formula: C32H44N6O4
• Molecular Weight: 576.74 g/mol
• Exact Mass: 576.34
• IUPAC Name: 2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol
• SMILES: COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CNCC1CCCCC1O
• InChI: InChI=1S/C32H44N6O4/c1-21-19-38(20-22(2)42-21)32-35-30-26(31(36-32)37-12-14-41-15-13-37)9-10-27(34-30)23-8-11-29(40-3)25(16-23)18-33-17-24-6-4-5-7-28(24)39/h8-11,16,21-22,24,28,33,39H,4-7,12-15,17-20H2,1-3H3/t21-,22+,24?,28?
• InChIKey: DQKWQFUPSRANFL-LOICWJLOSA-N
• XLogP: 3.79
• TPSA: 105.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.74
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol?

The IUPAC name of 2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol (CID 16735520) is 2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol.

What is the SMILES notation for 2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol?

The canonical SMILES for 2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol is COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CNCC1CCCCC1O.

What is the InChIKey of 2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol?

The InChIKey is DQKWQFUPSRANFL-LOICWJLOSA-N. The full InChI is InChI=1S/C32H44N6O4/c1-21-19-38(20-22(2)42-21)32-35-30-26(31(36-32)37-12-14-41-15-13-37)9-10-27(34-30)23-8-11-29(40-3)25(16-23)18-33-17-24-6-4-5-7-28(24)39/h8-11,16,21-22,24,28,33,39H,4-7,12-15,17-20H2,1-3H3/t21-,22+,24?,28?.

What are the key properties of 2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol?

2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 576.74 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 16735520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).