(4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide

C24H34N6O4 — CID 70882161

About (4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide

(4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide (PubChem CID 70882161) has the molecular formula C24H34N6O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is (4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide.

Molecular Properties

• Compound Name: (4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide
• PubChem CID: 70882161
• Molecular Formula: C24H34N6O4
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.26
• IUPAC Name: (4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide
• SMILES: CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)C2OC3(CCCCC3)OC21
• InChI: InChI=1S/C24H34N6O4/c1-2-25-22(31)18-17-19(34-24(33-17)11-7-4-8-12-24)23(32-18)30-14-28-16-20(26-13-27-21(16)30)29-15-9-5-3-6-10-15/h13-15,17-19,23H,2-12H2,1H3,(H,25,31)(H,26,27,29)/t17?,18-,19?,23+/m0/s1
• InChIKey: RZWNZKSNNTVDMA-VWTPQDEDSA-N
• XLogP: 3.05
• TPSA: 112.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide?

The IUPAC name of (4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide (CID 70882161) is (4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide.

What is the SMILES notation for (4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide?

The canonical SMILES for (4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide is CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)C2OC3(CCCCC3)OC21.

What is the InChIKey of (4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide?

The InChIKey is RZWNZKSNNTVDMA-VWTPQDEDSA-N. The full InChI is InChI=1S/C24H34N6O4/c1-2-25-22(31)18-17-19(34-24(33-17)11-7-4-8-12-24)23(32-18)30-14-28-16-20(26-13-27-21(16)30)29-15-9-5-3-6-10-15/h13-15,17-19,23H,2-12H2,1H3,(H,25,31)(H,26,27,29)/t17?,18-,19?,23+/m0/s1.

What are the key properties of (4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide?

(4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6S)-4-[6-(cyclohexylamino)purin-9-yl]-N-ethylspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-carboxamide is sourced from PubChem (CID 70882161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).