2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one

C26H38F4N4O3 — CID 162086291

IUPAC2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one
SMILESCC[C@H]1OC(C)C(F)(F)[C@H]1C.CC[C@H]1O[C@@H](n2ccc(C)nc2=O)C(F)(F)[C@H]1C.Cc1ccnc(C)n1
InChIInChI=1S/C12H16F2N2O2.C8H14F2O.C6H8N2/c1-4-9-8(3)12(13,14)10(18-9)16-6-5-7(2)15-11(16)17;1-4-7-5(2)8(9,10)6(3)11-7;1-5-3-4-7-6(2)8-5/h5-6,8-10H,4H2,1-3H3;5-7H,4H2,1-3H3;3-4H,1-2H3/t8-,9+,10+;5-,6?,7+;/m00./s1
InChIKeyZCZRZPLPNOIJCA-JFZLZTHTSA-N
MW530.61 g/mol
LogP5.68
Rot. Bonds3

About 2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one

2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one (PubChem CID 162086291) has the molecular formula C26H38F4N4O3 and a molecular weight of 530.61 g/mol. Its IUPAC name is 2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one
PubChem CID162086291
Molecular FormulaC26H38F4N4O3
Molecular Weight530.61 g/mol
Exact Mass530.29
IUPAC Name2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one
SMILESCC[C@H]1OC(C)C(F)(F)[C@H]1C.CC[C@H]1O[C@@H](n2ccc(C)nc2=O)C(F)(F)[C@H]1C.Cc1ccnc(C)n1
InChIInChI=1S/C12H16F2N2O2.C8H14F2O.C6H8N2/c1-4-9-8(3)12(13,14)10(18-9)16-6-5-7(2)15-11(16)17;1-4-7-5(2)8(9,10)6(3)11-7;1-5-3-4-7-6(2)8-5/h5-6,8-10H,4H2,1-3H3;5-7H,4H2,1-3H3;3-4H,1-2H3/t8-,9+,10+;5-,6?,7+;/m00./s1
InChIKeyZCZRZPLPNOIJCA-JFZLZTHTSA-N
XLogP5.68
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.61
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-[(2R,4R,5S)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 130327881
N-benzyl-[[(2R,3R,5R)-4,4-difluoro-3-hydroxy-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphonamidic acid
CID 134571211
1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]-4-methylpyrimidin-2-one
CID 70350784
4-amino-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;azane;bis[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;deuterio(fluoro)methane;1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;methanol;sulfanylidene-[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrofluoride
CID 158924369
1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174114354
1-[(2R,3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)-3-(fluoromethyl)oxolan-2-yl]-4-methylpyrimidin-2-one
CID 118016696
4-amino-1-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidin-2-one
CID 129010189
4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11054511
3-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-2-carboxamide
CID 175968060
4-amino-1-[3,3-difluoro-4-hydroxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10019846
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 90213479

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one?
The IUPAC name of 2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one (CID 162086291) is 2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one.
What is the SMILES notation for 2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one?
The canonical SMILES for 2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one is CC[C@H]1OC(C)C(F)(F)[C@H]1C.CC[C@H]1O[C@@H](n2ccc(C)nc2=O)C(F)(F)[C@H]1C.Cc1ccnc(C)n1.
What is the InChIKey of 2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one?
The InChIKey is ZCZRZPLPNOIJCA-JFZLZTHTSA-N. The full InChI is InChI=1S/C12H16F2N2O2.C8H14F2O.C6H8N2/c1-4-9-8(3)12(13,14)10(18-9)16-6-5-7(2)15-11(16)17;1-4-7-5(2)8(9,10)6(3)11-7;1-5-3-4-7-6(2)8-5/h5-6,8-10H,4H2,1-3H3;5-7H,4H2,1-3H3;3-4H,1-2H3/t8-,9+,10+;5-,6?,7+;/m00./s1.
What are the key properties of 2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one?
2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one has a molecular weight of 530.61 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrimidine;(4S,5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane;1-[(2R,4S,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-methylpyrimidin-2-one is sourced from PubChem (CID 162086291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).