4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione

C38H54F6N8O8 — CID 158430392

About 4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione

4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 158430392) has the molecular formula C38H54F6N8O8 and a molecular weight of 864.89 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 158430392
• Molecular Formula: C38H54F6N8O8
• Molecular Weight: 864.89 g/mol
• Exact Mass: 864.40
• IUPAC Name: 4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-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.CCC1(CC)O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1C.CC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1C
• InChI: InChI=1S/C13H19F2N3O2.C13H18F2N2O3.C12H17F2N3O3/c1-4-12(5-2)8(3)13(14,15)10(20-12)18-7-6-9(16)17-11(18)19;1-4-12(5-2)8(3)13(14,15)10(20-12)17-7-6-9(18)16-11(17)19;1-3-11(6-18)7(2)12(13,14)9(20-11)17-5-4-8(15)16-10(17)19/h6-8,10H,4-5H2,1-3H3,(H2,16,17,19);6-8,10H,4-5H2,1-3H3,(H,16,18,19);4-5,7,9,18H,3,6H2,1-2H3,(H2,15,16,19)/t2*8-,10-;7-,9-,11-/m111/s1
• InChIKey: HBOVVLALVJWWOV-PIYYALBCSA-N
• XLogP: 4.85
• TPSA: 224.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.89
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 158430392) is 4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-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.CCC1(CC)O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1C.CC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1C.

What is the InChIKey of 4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is HBOVVLALVJWWOV-PIYYALBCSA-N. The full InChI is InChI=1S/C13H19F2N3O2.C13H18F2N2O3.C12H17F2N3O3/c1-4-12(5-2)8(3)13(14,15)10(20-12)18-7-6-9(16)17-11(18)19;1-4-12(5-2)8(3)13(14,15)10(20-12)17-7-6-9(18)16-11(17)19;1-3-11(6-18)7(2)12(13,14)9(20-11)17-5-4-8(15)16-10(17)19/h6-8,10H,4-5H2,1-3H3,(H2,16,17,19);6-8,10H,4-5H2,1-3H3,(H,16,18,19);4-5,7,9,18H,3,6H2,1-2H3,(H2,15,16,19)/t2*8-,10-;7-,9-,11-/m111/s1.

What are the key properties of 4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione?

4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 864.89 g/mol, XLogP of 4.85, 9 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 158430392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).