2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide

C13H19FN4O3 — CID 91779317

IUPAC2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@H]1CCOC[C@H]1Nc1ncc(F)cn1
InChIInChI=1S/C13H19FN4O3/c1-18(2)12(19)8-21-11-3-4-20-7-10(11)17-13-15-5-9(14)6-16-13/h5-6,10-11H,3-4,7-8H2,1-2H3,(H,15,16,17)/t10-,11+/m1/s1
InChIKeyWYOIUVUVNLEOBQ-MNOVXSKESA-N
MW298.32 g/mol
LogP0.29
Rot. Bonds5

About 2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide

2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide (PubChem CID 91779317) has the molecular formula C13H19FN4O3 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
PubChem CID91779317
Molecular FormulaC13H19FN4O3
Molecular Weight298.32 g/mol
Exact Mass298.14
IUPAC Name2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)CO[C@H]1CCOC[C@H]1Nc1ncc(F)cn1
InChIInChI=1S/C13H19FN4O3/c1-18(2)12(19)8-21-11-3-4-20-7-10(11)17-13-15-5-9(14)6-16-13/h5-6,10-11H,3-4,7-8H2,1-2H3,(H,15,16,17)/t10-,11+/m1/s1
InChIKeyWYOIUVUVNLEOBQ-MNOVXSKESA-N
XLogP0.29
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide 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

1-(4-((5-Fluoro-4-morpholinopyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172591486
N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]morpholine-4-carboxamide
CID 91626436
1-[(4aR,9aR)-7-(5-fluoropyrimidin-2-yl)-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepin-4-yl]ethanone
CID 97511257
(2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide
CID 99929770
4-[(5-fluoropyrimidin-2-yl)oxy]-N-(propan-2-yl)piperidine-1-carboxamide
CID 139028785
N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 143541861
N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45823146
N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45831677
4-[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]morpholine-2-carboxamide
CID 72896668
5-fluoro-2-N-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 80829298
5-fluoro-4-N-(oxan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80829299
2-N-ethyl-5-fluoro-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 80829876

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide (CID 91779317) is 2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide is CN(C)C(=O)CO[C@H]1CCOC[C@H]1Nc1ncc(F)cn1.
What is the InChIKey of 2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide?
The InChIKey is WYOIUVUVNLEOBQ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H19FN4O3/c1-18(2)12(19)8-21-11-3-4-20-7-10(11)17-13-15-5-9(14)6-16-13/h5-6,10-11H,3-4,7-8H2,1-2H3,(H,15,16,17)/t10-,11+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide?
2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide has a molecular weight of 298.32 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[(5-fluoropyrimidin-2-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 91779317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).