(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide

C77H129BrN15O14P5 — CID 160710769

About (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide

(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide (PubChem CID 160710769) has the molecular formula C77H129BrN15O14P5 and a molecular weight of 1723.74 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide
• PubChem CID: 160710769
• Molecular Formula: C77H129BrN15O14P5
• Molecular Weight: 1723.74 g/mol
• Exact Mass: 1721.77
• IUPAC Name: (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide
• SMILES: C=C1N=C(N)C=CN1[C@@H]1C[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(N)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1Br.C=C1N=C(N)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1C.C=C1N=C(NC(C)=O)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(NC(C)=O)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1OC
• InChI: InChI=1S/C17H28N3O4P.C16H26N3O4P.2C15H26N3O2P.C14H23BrN3O2P/c1-11-18-14(19-12(2)21)7-9-20(11)17-16(23-3)15(22)13(24-17)8-10-25(4,5)6;1-10-17-13(18-11(2)20)6-8-19(10)16-15(22)14(21)12(23-16)7-9-24(3,4)5;1-10-14(19)12(7-9-21(3,4)5)20-15(10)18-8-6-13(16)17-11(18)2;1-10-17-13(16)5-7-18(10)12-9-11(14(19)15(12)20)6-8-21(2,3)4;1-9-17-11(16)5-7-18(9)14-12(15)13(19)10(20-14)6-8-21(2,3)4/h7,9,13,15-17,22H,1,4,8,10H2,2-3,5-6H3,(H,18,19,21);6,8,12,14-16,21-22H,1,3,7,9H2,2,4-5H3,(H,17,18,20);6,8,10,12,14-15,19H,2-3,7,9H2,1,4-5H3,(H2,16,17);5,7,11-12,14-15,19-20H,1-2,6,8-9H2,3-4H3,(H2,16,17);5,7,10,12-14,19H,1-2,6,8H2,3-4H3,(H2,16,17)/t13-,15-,16-,17-;12-,14-,15-,16-;10-,12-,14+,15-;11-,12+,14+,15-;10-,12-,13-,14-/m11101/s1
• InChIKey: RRVCNYKMZCYCBH-KJRLNWHSSA-N
• XLogP: 5.30
• TPSA: 402.02 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1723.74
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide?

The IUPAC name of (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide (CID 160710769) is (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide.

What is the SMILES notation for (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide?

The canonical SMILES for (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide is C=C1N=C(N)C=CN1[C@@H]1C[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(N)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1Br.C=C1N=C(N)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1C.C=C1N=C(NC(C)=O)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=C1N=C(NC(C)=O)C=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1OC.

What is the InChIKey of (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide?

The InChIKey is RRVCNYKMZCYCBH-KJRLNWHSSA-N. The full InChI is InChI=1S/C17H28N3O4P.C16H26N3O4P.2C15H26N3O2P.C14H23BrN3O2P/c1-11-18-14(19-12(2)21)7-9-20(11)17-16(23-3)15(22)13(24-17)8-10-25(4,5)6;1-10-17-13(18-11(2)20)6-8-19(10)16-15(22)14(21)12(23-16)7-9-24(3,4)5;1-10-14(19)12(7-9-21(3,4)5)20-15(10)18-8-6-13(16)17-11(18)2;1-10-17-13(16)5-7-18(10)12-9-11(14(19)15(12)20)6-8-21(2,3)4;1-9-17-11(16)5-7-18(9)14-12(15)13(19)10(20-14)6-8-21(2,3)4/h7,9,13,15-17,22H,1,4,8,10H2,2-3,5-6H3,(H,18,19,21);6,8,12,14-16,21-22H,1,3,7,9H2,2,4-5H3,(H,17,18,20);6,8,10,12,14-15,19H,2-3,7,9H2,1,4-5H3,(H2,16,17);5,7,11-12,14-15,19-20H,1-2,6,8-9H2,3-4H3,(H2,16,17);5,7,10,12-14,19H,1-2,6,8H2,3-4H3,(H2,16,17)/t13-,15-,16-,17-;12-,14-,15-,16-;10-,12-,14+,15-;11-,12+,14+,15-;10-,12-,13-,14-/m11101/s1.

What are the key properties of (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide?

(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide has a molecular weight of 1723.74 g/mol, XLogP of 5.30, 21 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(1R,2S,3R,5R)-3-(4-amino-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]cyclopentane-1,2-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol;N-[1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide;N-[1-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-yl]acetamide is sourced from PubChem (CID 160710769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).