1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid

C₂₀H₂₇F₃N₄O₄ — CID 155859921

About 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid

1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid (PubChem CID 155859921) has the molecular formula C₂₀H₂₇F₃N₄O₄ and a molecular weight of 444.45 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid
• PubChem CID: 155859921
• Molecular Formula: C₂₀H₂₇F₃N₄O₄
• Molecular Weight: 444.45 g/mol
• Exact Mass: 444.20
• IUPAC Name: 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.c1nc(N2CCOCC2)nc2c1COCC21CCN(CC2CC2)C1
• InChI: InChI=1S/C18H26N4O2.C2HF3O2/c1-2-14(1)10-21-4-3-18(12-21)13-24-11-15-9-19-17(20-16(15)18)22-5-7-23-8-6-22;3-2(4,5)1(6)7/h9,14H,1-8,10-13H2;(H,6,7)
• InChIKey: GHUVFEPROQSGLM-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 88.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.45
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid?

The IUPAC name of 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid (CID 155859921) is 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid.

What is the SMILES notation for 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid?

The canonical SMILES for 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1nc(N2CCOCC2)nc2c1COCC21CCN(CC2CC2)C1.

What is the InChIKey of 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid?

The InChIKey is GHUVFEPROQSGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.C2HF3O2/c1-2-14(1)10-21-4-3-18(12-21)13-24-11-15-9-19-17(20-16(15)18)22-5-7-23-8-6-22;3-2(4,5)1(6)7/h9,14H,1-8,10-13H2;(H,6,7).

What are the key properties of 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid?

1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid has a molecular weight of 444.45 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155859921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155859921 — identifiers, structure, computed properties (public domain)

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