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

C20H24N4O4 — CID 97275621

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

N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 97275621) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
• PubChem CID: 97275621
• Molecular Formula: C20H24N4O4
• Molecular Weight: 384.44 g/mol
• Exact Mass: 384.18
• IUPAC Name: N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
• SMILES: COc1cccc2c1OC[C@H](CNC(=O)c1cnc(N3CCOCC3)nc1)C2
• InChI: InChI=1S/C20H24N4O4/c1-26-17-4-2-3-15-9-14(13-28-18(15)17)10-21-19(25)16-11-22-20(23-12-16)24-5-7-27-8-6-24/h2-4,11-12,14H,5-10,13H2,1H3,(H,21,25)/t14-/m0/s1
• InChIKey: SBYUVGVKLPZOFG-AWEZNQCLSA-N
• XLogP: 1.30
• TPSA: 85.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.44
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 97275621) is N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

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

The canonical SMILES for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is COc1cccc2c1OC[C@H](CNC(=O)c1cnc(N3CCOCC3)nc1)C2.

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

The InChIKey is SBYUVGVKLPZOFG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-26-17-4-2-3-15-9-14(13-28-18(15)17)10-21-19(25)16-11-22-20(23-12-16)24-5-7-27-8-6-24/h2-4,11-12,14H,5-10,13H2,1H3,(H,21,25)/t14-/m0/s1.

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

N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 97275621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).