N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide

C24H24N6O4 — CID 15216936

About N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide

N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide (PubChem CID 15216936) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide
• PubChem CID: 15216936
• Molecular Formula: C24H24N6O4
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.19
• IUPAC Name: N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide
• SMILES: CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNC(=O)c1ccc3ccccc3c1)O[C@H]2n1cnc2c(N)ncnc21
• InChI: InChI=1S/C24H24N6O4/c1-24(2)33-18-16(10-26-22(31)15-8-7-13-5-3-4-6-14(13)9-15)32-23(19(18)34-24)30-12-29-17-20(25)27-11-28-21(17)30/h3-9,11-12,16,18-19,23H,10H2,1-2H3,(H,26,31)(H2,25,27,28)/t16-,18-,19-,23-/m1/s1
• InChIKey: FXYYFNNWNRBVDM-DYVMYPEFSA-N
• XLogP: 2.41
• TPSA: 126.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide?

The IUPAC name of N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide (CID 15216936) is N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide?

The canonical SMILES for N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide is CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNC(=O)c1ccc3ccccc3c1)O[C@H]2n1cnc2c(N)ncnc21.

What is the InChIKey of N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide?

The InChIKey is FXYYFNNWNRBVDM-DYVMYPEFSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-24(2)33-18-16(10-26-22(31)15-8-7-13-5-3-4-6-14(13)9-15)32-23(19(18)34-24)30-12-29-17-20(25)27-11-28-21(17)30/h3-9,11-12,16,18-19,23H,10H2,1-2H3,(H,26,31)(H2,25,27,28)/t16-,18-,19-,23-/m1/s1.

What are the key properties of N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide?

N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 15216936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).