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

C32H37FN6O3 — CID 16735554

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

N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 16735554) has the molecular formula C32H37FN6O3 and a molecular weight of 572.69 g/mol. Its IUPAC name is N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

• Compound Name: N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
• PubChem CID: 16735554
• Molecular Formula: C32H37FN6O3
• Molecular Weight: 572.69 g/mol
• Exact Mass: 572.29
• IUPAC Name: N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
• SMILES: COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CNCc1ccc(F)cc1
• InChI: InChI=1S/C32H37FN6O3/c1-21-19-39(20-22(2)42-21)32-36-30-27(31(37-32)38-12-14-41-15-13-38)9-10-28(35-30)24-6-11-29(40-3)25(16-24)18-34-17-23-4-7-26(33)8-5-23/h4-11,16,21-22,34H,12-15,17-20H2,1-3H3/t21-,22+
• InChIKey: KZIMPTZGKVLTPO-SZPZYZBQSA-N
• XLogP: 4.58
• TPSA: 84.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.69
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine (CID 16735554) is N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine.

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

The canonical SMILES for N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine is COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CNCc1ccc(F)cc1.

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

The InChIKey is KZIMPTZGKVLTPO-SZPZYZBQSA-N. The full InChI is InChI=1S/C32H37FN6O3/c1-21-19-39(20-22(2)42-21)32-36-30-27(31(37-32)38-12-14-41-15-13-38)9-10-28(35-30)24-6-11-29(40-3)25(16-24)18-34-17-23-4-7-26(33)8-5-23/h4-11,16,21-22,34H,12-15,17-20H2,1-3H3/t21-,22+.

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

N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 572.69 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 16735554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).