N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine

C35H44N6O4 — CID 57442154

About N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine

N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine (PubChem CID 57442154) has the molecular formula C35H44N6O4 and a molecular weight of 612.78 g/mol. Its IUPAC name is N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine.

Molecular Properties

• Compound Name: N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine
• PubChem CID: 57442154
• Molecular Formula: C35H44N6O4
• Molecular Weight: 612.78 g/mol
• Exact Mass: 612.34
• IUPAC Name: N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine
• SMILES: COCC(Cc1ccccc1)NCc1cc(-c2ccc3c(N4CCOCC4)nc(N4CC(C)OC(C)C4)nc3n2)ccc1OC
• InChI: InChI=1S/C35H44N6O4/c1-24-21-41(22-25(2)45-24)35-38-33-30(34(39-35)40-14-16-44-17-15-40)11-12-31(37-33)27-10-13-32(43-4)28(19-27)20-36-29(23-42-3)18-26-8-6-5-7-9-26/h5-13,19,24-25,29,36H,14-18,20-23H2,1-4H3
• InChIKey: MVDKRTMDBVFUPH-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 94.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	612.78
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine?

The IUPAC name of N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine (CID 57442154) is N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine.

What is the SMILES notation for N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine?

The canonical SMILES for N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine is COCC(Cc1ccccc1)NCc1cc(-c2ccc3c(N4CCOCC4)nc(N4CC(C)OC(C)C4)nc3n2)ccc1OC.

What is the InChIKey of N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine?

The InChIKey is MVDKRTMDBVFUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N6O4/c1-24-21-41(22-25(2)45-24)35-38-33-30(34(39-35)40-14-16-44-17-15-40)11-12-31(37-33)27-10-13-32(43-4)28(19-27)20-36-29(23-42-3)18-26-8-6-5-7-9-26/h5-13,19,24-25,29,36H,14-18,20-23H2,1-4H3.

What are the key properties of N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine?

N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine has a molecular weight of 612.78 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine is sourced from PubChem (CID 57442154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).