(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate

C102H113ClFN27O19 — CID 160785590

About (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate

(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 160785590) has the molecular formula C102H113ClFN27O19 and a molecular weight of 2075.65 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
• PubChem CID: 160785590
• Molecular Formula: C102H113ClFN27O19
• Molecular Weight: 2075.65 g/mol
• Exact Mass: 2073.84
• IUPAC Name: (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
• SMILES: CC.CC[C@H]1N[C@@H](C2C=Nc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O.CNC(=O)c1ccc(COC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cn1.CNC(=O)c1cncc(COC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)c1.C[C@H]1N[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@H](O)[C@@H]1O.C[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H](F)[C@@H]1O.Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
• InChI: InChI=1S/2C23H23N5O4.C21H20N4O3.C12H16N4O3.C11H14N4O3.C10H11ClFN5O2.C2H6/c1-25-22(30)20-11-8-16(13-26-20)14-32-23(31)27-12-15-6-9-17(10-7-15)21(29)28-19-5-3-2-4-18(19)24;1-25-21(29)18-10-16(11-26-13-18)14-32-23(31)27-12-15-6-8-17(9-7-15)22(30)28-20-5-3-2-4-19(20)24;22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16;1-2-6-10(17)11(18)8(16-6)5-3-13-9-7(5)14-4-15-12(9)19;1-4-9(16)10(17)7(15-4)5-2-12-8-6(5)13-3-14-11(8)18;1-3-6(18)4(12)9(19-3)17-2-14-5-7(13)15-10(11)16-8(5)17;1-2/h2-11,13H,12,14,24H2,1H3,(H,25,30)(H,27,31)(H,28,29);2-11,13H,12,14,24H2,1H3,(H,25,29)(H,27,31)(H,28,30);1-12H,13-14,22H2,(H,24,27)(H,25,26);3-6,8,10-11,16-18H,2H2,1H3,(H,14,15,19);2-4,7,9-10,12,15-17H,1H3,(H,13,14,18);2-4,6,9,18H,1H3,(H2,13,15,16);1-2H3/t;;;5?,6-,8+,10-,11+;4-,7+,9-,10+;3-,4+,6-,9-;/m...111./s1
• InChIKey: SBDVOBFZKWEVSM-USQPFGEYSA-N
• XLogP: 8.50
• TPSA: 700.93 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2075.65
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate?

The IUPAC name of (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate (CID 160785590) is (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate.

What is the SMILES notation for (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate?

The canonical SMILES for (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate is CC.CC[C@H]1N[C@@H](C2C=Nc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O.CNC(=O)c1ccc(COC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cn1.CNC(=O)c1cncc(COC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)c1.C[C@H]1N[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@H](O)[C@@H]1O.C[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H](F)[C@@H]1O.Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1.

What is the InChIKey of (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate?

The InChIKey is SBDVOBFZKWEVSM-USQPFGEYSA-N. The full InChI is InChI=1S/2C23H23N5O4.C21H20N4O3.C12H16N4O3.C11H14N4O3.C10H11ClFN5O2.C2H6/c1-25-22(30)20-11-8-16(13-26-20)14-32-23(31)27-12-15-6-9-17(10-7-15)21(29)28-19-5-3-2-4-18(19)24;1-25-21(29)18-10-16(11-26-13-18)14-32-23(31)27-12-15-6-8-17(9-7-15)22(30)28-20-5-3-2-4-19(20)24;22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16;1-2-6-10(17)11(18)8(16-6)5-3-13-9-7(5)14-4-15-12(9)19;1-4-9(16)10(17)7(15-4)5-2-12-8-6(5)13-3-14-11(8)18;1-3-6(18)4(12)9(19-3)17-2-14-5-7(13)15-10(11)16-8(5)17;1-2/h2-11,13H,12,14,24H2,1H3,(H,25,30)(H,27,31)(H,28,29);2-11,13H,12,14,24H2,1H3,(H,25,29)(H,27,31)(H,28,30);1-12H,13-14,22H2,(H,24,27)(H,25,26);3-6,8,10-11,16-18H,2H2,1H3,(H,14,15,19);2-4,7,9-10,12,15-17H,1H3,(H,13,14,18);2-4,6,9,18H,1H3,(H2,13,15,16);1-2H3/t;;;5?,6-,8+,10-,11+;4-,7+,9-,10+;3-,4+,6-,9-;/m...111./s1.

What are the key properties of (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate?

(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 2075.65 g/mol, XLogP of 8.50, 24 rotatable bonds, 22 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 160785590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).