1-(2,3-dimethoxyphenyl)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]methanamine

C34H42N6O5 — CID 59776879

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

1-(2,3-dimethoxyphenyl)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]methanamine (PubChem CID 59776879) has the molecular formula C34H42N6O5 and a molecular weight of 614.75 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-(2,3-dimethoxyphenyl)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]methanamine
• PubChem CID: 59776879
• Molecular Formula: C34H42N6O5
• Molecular Weight: 614.75 g/mol
• Exact Mass: 614.32
• IUPAC Name: 1-(2,3-dimethoxyphenyl)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]methanamine
• SMILES: COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CNCc1cccc(OC)c1OC
• InChI: InChI=1S/C34H42N6O5/c1-22-20-40(21-23(2)45-22)34-37-32-27(33(38-34)39-13-15-44-16-14-39)10-11-28(36-32)24-9-12-29(41-3)26(17-24)19-35-18-25-7-6-8-30(42-4)31(25)43-5/h6-12,17,22-23,35H,13-16,18-21H2,1-5H3/t22-,23+
• InChIKey: NFBIXBSATQQADA-ZRZAMGCNSA-N
• XLogP: 4.46
• TPSA: 103.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.75
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]methanamine (CID 59776879) is 1-(2,3-dimethoxyphenyl)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]methanamine.

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

The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]methanamine is COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CNCc1cccc(OC)c1OC.

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

The InChIKey is NFBIXBSATQQADA-ZRZAMGCNSA-N. The full InChI is InChI=1S/C34H42N6O5/c1-22-20-40(21-23(2)45-22)34-37-32-27(33(38-34)39-13-15-44-16-14-39)10-11-28(36-32)24-9-12-29(41-3)26(17-24)19-35-18-25-7-6-8-30(42-4)31(25)43-5/h6-12,17,22-23,35H,13-16,18-21H2,1-5H3/t22-,23+.

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

1-(2,3-dimethoxyphenyl)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]methanamine has a molecular weight of 614.75 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dimethoxyphenyl)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]methanamine is sourced from PubChem (CID 59776879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).