7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine

C21H25N7O3 — CID 129316094

About 7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine

7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 129316094) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
• PubChem CID: 129316094
• Molecular Formula: C21H25N7O3
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.20
• IUPAC Name: 7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
• SMILES: CC1=CC(C)C(c2nc(N)nc3c2nnn3Cc2cccc(CO[C@H]3CCOC3)n2)O1
• InChI: InChI=1S/C21H25N7O3/c1-12-8-13(2)31-19(12)17-18-20(25-21(22)24-17)28(27-26-18)9-14-4-3-5-15(23-14)10-30-16-6-7-29-11-16/h3-5,8,12,16,19H,6-7,9-11H2,1-2H3,(H2,22,24,25)/t12?,16-,19?/m0/s1
• InChIKey: IYUYYFRUXOPDOR-CHLGFOLGSA-N
• XLogP: 2.16
• TPSA: 123.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?

The IUPAC name of 7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine (CID 129316094) is 7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine.

What is the SMILES notation for 7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?

The canonical SMILES for 7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine is CC1=CC(C)C(c2nc(N)nc3c2nnn3Cc2cccc(CO[C@H]3CCOC3)n2)O1.

What is the InChIKey of 7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?

The InChIKey is IYUYYFRUXOPDOR-CHLGFOLGSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-12-8-13(2)31-19(12)17-18-20(25-21(22)24-17)28(27-26-18)9-14-4-3-5-15(23-14)10-30-16-6-7-29-11-16/h3-5,8,12,16,19H,6-7,9-11H2,1-2H3,(H2,22,24,25)/t12?,16-,19?/m0/s1.

What are the key properties of 7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?

7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 423.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 129316094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).