(2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

C21H23N5O2 — CID 163981509

About (2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

(2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 163981509) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

• Compound Name: (2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
• PubChem CID: 163981509
• Molecular Formula: C21H23N5O2
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.19
• IUPAC Name: (2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
• SMILES: C=C([C@@H]1COc2ccccc2C1)N1CCO[C@H](c2cc(C)nc3ncnn23)C1
• InChI: InChI=1S/C21H23N5O2/c1-14-9-18(26-21(24-14)22-13-23-26)20-11-25(7-8-27-20)15(2)17-10-16-5-3-4-6-19(16)28-12-17/h3-6,9,13,17,20H,2,7-8,10-12H2,1H3/t17-,20-/m0/s1
• InChIKey: SYUSQJOWWNGILX-PXNSSMCTSA-N
• XLogP: 2.57
• TPSA: 64.78 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?

The IUPAC name of (2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 163981509) is (2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.

What is the SMILES notation for (2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?

The canonical SMILES for (2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is C=C([C@@H]1COc2ccccc2C1)N1CCO[C@H](c2cc(C)nc3ncnn23)C1.

What is the InChIKey of (2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?

The InChIKey is SYUSQJOWWNGILX-PXNSSMCTSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-9-18(26-21(24-14)22-13-23-26)20-11-25(7-8-27-20)15(2)17-10-16-5-3-4-6-19(16)28-12-17/h3-6,9,13,17,20H,2,7-8,10-12H2,1H3/t17-,20-/m0/s1.

What are the key properties of (2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?

(2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 377.45 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[1-[(3R)-3,4-dihydro-2H-chromen-3-yl]ethenyl]-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 163981509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).