4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione

C80H99Cl5F14N16O24 — CID 161003453

About 4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione

4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 161003453) has the molecular formula C80H99Cl5F14N16O24 and a molecular weight of 2112.00 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 161003453
• Molecular Formula: C80H99Cl5F14N16O24
• Molecular Weight: 2112.00 g/mol
• Exact Mass: 2108.52
• IUPAC Name: 4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
• SMILES: CCC1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)C(F)(F)[C@@H]1C.CC[C@@]1(CCl)O[C@@H](n2ccc(=O)[nH]c2=O)C(F)(F)[C@@H]1C.CC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1C.C[C@@H]1C(CO)(CO)O[C@@H](n2ccc(=O)[nH]c2=O)C1(F)F.C[C@H]1C(F)(F)[C@H](n2ccc(=O)[nH]c2=O)O[C@@]1(CO)CCl.C[C@H]1C(F)(F)[C@H]2O[C@]1(CCl)COc1nc(=O)ccn12.Nc1ccn([C@@H]2O[C@@](CO)(CCl)[C@@H](O)C2(F)F)c(=O)n1
• InChI: InChI=1S/C13H18F2N2O3.C12H16ClF2N3O2.C12H15ClF2N2O3.C11H13ClF2N2O4.C11H11ClF2N2O3.C11H14F2N2O5.C10H12ClF2N3O4/c1-4-12(5-2)8(3)13(14,15)10(20-12)17-7-6-9(18)16-11(17)19;1-3-11(6-13)7(2)12(14,15)9(20-11)18-5-4-8(16)17-10(18)19;1-3-11(6-13)7(2)12(14,15)9(20-11)17-5-4-8(18)16-10(17)19;1-6-10(4-12,5-17)20-8(11(6,13)14)16-3-2-7(18)15-9(16)19;1-6-10(4-12)5-18-9-15-7(17)2-3-16(9)8(19-10)11(6,13)14;1-6-10(4-16,5-17)20-8(11(6,12)13)15-3-2-7(18)14-9(15)19;11-3-9(4-17)6(18)10(12,13)7(20-9)16-2-1-5(14)15-8(16)19/h6-8,10H,4-5H2,1-3H3,(H,16,18,19);4-5,7,9H,3,6H2,1-2H3,(H2,16,17,19);4-5,7,9H,3,6H2,1-2H3,(H,16,18,19);2-3,6,8,17H,4-5H2,1H3,(H,15,18,19);2-3,6,8H,4-5H2,1H3;2-3,6,8,16-17H,4-5H2,1H3,(H,14,18,19);1-2,6-7,17-18H,3-4H2,(H2,14,15,19)/t8-,10-;2*7-,9-,11+;2*6-,8-,10-;6-,8-;6-,7-,9-/m1111111/s1
• InChIKey: TWEOPSGAWKAVGE-KLEPXYNJSA-N
• XLogP: 5.73
• TPSA: 551.14 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2112.00
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 161003453) is 4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione is CCC1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)C(F)(F)[C@@H]1C.CC[C@@]1(CCl)O[C@@H](n2ccc(=O)[nH]c2=O)C(F)(F)[C@@H]1C.CC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1C.C[C@@H]1C(CO)(CO)O[C@@H](n2ccc(=O)[nH]c2=O)C1(F)F.C[C@H]1C(F)(F)[C@H](n2ccc(=O)[nH]c2=O)O[C@@]1(CO)CCl.C[C@H]1C(F)(F)[C@H]2O[C@]1(CCl)COc1nc(=O)ccn12.Nc1ccn([C@@H]2O[C@@](CO)(CCl)[C@@H](O)C2(F)F)c(=O)n1.

What is the InChIKey of 4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is TWEOPSGAWKAVGE-KLEPXYNJSA-N. The full InChI is InChI=1S/C13H18F2N2O3.C12H16ClF2N3O2.C12H15ClF2N2O3.C11H13ClF2N2O4.C11H11ClF2N2O3.C11H14F2N2O5.C10H12ClF2N3O4/c1-4-12(5-2)8(3)13(14,15)10(20-12)17-7-6-9(18)16-11(17)19;1-3-11(6-13)7(2)12(14,15)9(20-11)18-5-4-8(16)17-10(18)19;1-3-11(6-13)7(2)12(14,15)9(20-11)17-5-4-8(18)16-10(17)19;1-6-10(4-12,5-17)20-8(11(6,13)14)16-3-2-7(18)15-9(16)19;1-6-10(4-12)5-18-9-15-7(17)2-3-16(9)8(19-10)11(6,13)14;1-6-10(4-16,5-17)20-8(11(6,12)13)15-3-2-7(18)14-9(15)19;11-3-9(4-17)6(18)10(12,13)7(20-9)16-2-1-5(14)15-8(16)19/h6-8,10H,4-5H2,1-3H3,(H,16,18,19);4-5,7,9H,3,6H2,1-2H3,(H2,16,17,19);4-5,7,9H,3,6H2,1-2H3,(H,16,18,19);2-3,6,8,17H,4-5H2,1H3,(H,15,18,19);2-3,6,8H,4-5H2,1H3;2-3,6,8,16-17H,4-5H2,1H3,(H,14,18,19);1-2,6-7,17-18H,3-4H2,(H2,14,15,19)/t8-,10-;2*7-,9-,11+;2*6-,8-,10-;6-,8-;6-,7-,9-/m1111111/s1.

What are the key properties of 4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione?

4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 2112.00 g/mol, XLogP of 5.73, 19 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;(1R,10S,11R)-10-(chloromethyl)-12,12-difluoro-11-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one;1-[(2R,4R,5R)-5-(chloromethyl)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 161003453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).