4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione

C65H82F5N11O16 — CID 158373177

About 4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione

4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 158373177) has the molecular formula C65H82F5N11O16 and a molecular weight of 1368.42 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 158373177
• Molecular Formula: C65H82F5N11O16
• Molecular Weight: 1368.42 g/mol
• Exact Mass: 1367.59
• IUPAC Name: 4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione
• SMILES: C#C[C@]1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)[C@@H]1C.C=C=C[C@]1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)[C@@H]1C.C=C=C[C@]1(CC)O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1C.CC[C@@]1(C=O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)[C@@H]1C.CC[C@@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)[C@@H]1C
• InChI: InChI=1S/C14H18FN3O2.C14H17FN2O3.C13H15FN2O3.C12H17FN2O4.C12H15FN2O4/c1-4-7-14(5-2)9(3)11(15)12(20-14)18-8-6-10(16)17-13(18)19;1-4-7-14(5-2)9(3)11(15)12(20-14)17-8-6-10(18)16-13(17)19;1-4-13(5-2)8(3)10(14)11(19-13)16-7-6-9(17)15-12(16)18;2*1-3-12(6-16)7(2)9(13)10(19-12)15-5-4-8(17)14-11(15)18/h6-9,11-12H,1,5H2,2-3H3,(H2,16,17,19);6-9,11-12H,1,5H2,2-3H3,(H,16,18,19);1,6-8,10-11H,5H2,2-3H3,(H,15,17,18);4-5,7,9-10,16H,3,6H2,1-2H3,(H,14,17,18);4-7,9-10H,3H2,1-2H3,(H,14,17,18)/t2*9-,11-,12+,14-;8-,10-,11+,13+;2*7-,9-,10+,12-/m00000/s1
• InChIKey: GUWIWCLAVCLKBS-WFBGOCSLSA-N
• XLogP: 4.74
• TPSA: 363.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1368.42
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione (CID 158373177) is 4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione is C#C[C@]1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)[C@@H]1C.C=C=C[C@]1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)[C@@H]1C.C=C=C[C@]1(CC)O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1C.CC[C@@]1(C=O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)[C@@H]1C.CC[C@@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)[C@@H]1C.

What is the InChIKey of 4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is GUWIWCLAVCLKBS-WFBGOCSLSA-N. The full InChI is InChI=1S/C14H18FN3O2.C14H17FN2O3.C13H15FN2O3.C12H17FN2O4.C12H15FN2O4/c1-4-7-14(5-2)9(3)11(15)12(20-14)18-8-6-10(16)17-13(18)19;1-4-7-14(5-2)9(3)11(15)12(20-14)17-8-6-10(18)16-13(17)19;1-4-13(5-2)8(3)10(14)11(19-13)16-7-6-9(17)15-12(16)18;2*1-3-12(6-16)7(2)9(13)10(19-12)15-5-4-8(17)14-11(15)18/h6-9,11-12H,1,5H2,2-3H3,(H2,16,17,19);6-9,11-12H,1,5H2,2-3H3,(H,16,18,19);1,6-8,10-11H,5H2,2-3H3,(H,15,17,18);4-5,7,9-10,16H,3,6H2,1-2H3,(H,14,17,18);4-7,9-10H,3H2,1-2H3,(H,14,17,18)/t2*9-,11-,12+,14-;8-,10-,11+,13+;2*7-,9-,10+,12-/m00000/s1.

What are the key properties of 4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione?

4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 1368.42 g/mol, XLogP of 4.74, 14 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one;(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-methyloxolane-2-carbaldehyde;1-[(2R,3S,4R,5R)-5-ethyl-5-ethynyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-propa-1,2-dienyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 158373177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).