5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine

C19H23FN4O3 — CID 97203053

About 5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine

5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 97203053) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine
• PubChem CID: 97203053
• Molecular Formula: C19H23FN4O3
• Molecular Weight: 374.42 g/mol
• Exact Mass: 374.18
• IUPAC Name: 5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine
• SMILES: COc1cccc2c1OC[C@H](CNc1ncc(F)c(N3CCOCC3)n1)C2
• InChI: InChI=1S/C19H23FN4O3/c1-25-16-4-2-3-14-9-13(12-27-17(14)16)10-21-19-22-11-15(20)18(23-19)24-5-7-26-8-6-24/h2-4,11,13H,5-10,12H2,1H3,(H,21,22,23)/t13-/m0/s1
• InChIKey: MCOPDSQDEOYNKA-ZDUSSCGKSA-N
• XLogP: 2.12
• TPSA: 68.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.42
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine?

The IUPAC name of 5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine (CID 97203053) is 5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine.

What is the SMILES notation for 5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine?

The canonical SMILES for 5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine is COc1cccc2c1OC[C@H](CNc1ncc(F)c(N3CCOCC3)n1)C2.

What is the InChIKey of 5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine?

The InChIKey is MCOPDSQDEOYNKA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-25-16-4-2-3-14-9-13(12-27-17(14)16)10-21-19-22-11-15(20)18(23-19)24-5-7-26-8-6-24/h2-4,11,13H,5-10,12H2,1H3,(H,21,22,23)/t13-/m0/s1.

What are the key properties of 5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine?

5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 374.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 97203053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).