5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one

C13H20FN3O4 — CID 58287935

IUPAC5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C(CN)=CN1[C@@H]1OC(COC)[C@@H](OC)C1F
InChIInChI=1S/C13H20FN3O4/c1-7-16-12(18)8(4-15)5-17(7)13-10(14)11(20-3)9(21-13)6-19-2/h5,9-11,13H,1,4,6,15H2,2-3H3,(H,16,18)/t9?,10?,11-,13-/m1/s1
InChIKeyYINSFWOERCLXOO-FFJHZOIPSA-N
MW301.32 g/mol
LogP-0.54
Rot. Bonds5

About 5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one

5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one (PubChem CID 58287935) has the molecular formula C13H20FN3O4 and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
PubChem CID58287935
Molecular FormulaC13H20FN3O4
Molecular Weight301.32 g/mol
Exact Mass301.14
IUPAC Name5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C(CN)=CN1[C@@H]1OC(COC)[C@@H](OC)C1F
InChIInChI=1S/C13H20FN3O4/c1-7-16-12(18)8(4-15)5-17(7)13-10(14)11(20-3)9(21-13)6-19-2/h5,9-11,13H,1,4,6,15H2,2-3H3,(H,16,18)/t9?,10?,11-,13-/m1/s1
InChIKeyYINSFWOERCLXOO-FFJHZOIPSA-N
XLogP-0.54
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one with MolForge

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Related Compounds

1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one
CID 58287943
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine
CID 165070456
1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine
CID 159140478
1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine
CID 58287889
CID 154006888
CID 154006888
5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one
CID 58288017
1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 123814286
(2R,4R,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901361
(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901360
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 118491141
1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59957186
2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid
CID 122488477

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one (CID 58287935) is 5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one is C=C1NC(=O)C(CN)=CN1[C@@H]1OC(COC)[C@@H](OC)C1F.
What is the InChIKey of 5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one?
The InChIKey is YINSFWOERCLXOO-FFJHZOIPSA-N. The full InChI is InChI=1S/C13H20FN3O4/c1-7-16-12(18)8(4-15)5-17(7)13-10(14)11(20-3)9(21-13)6-19-2/h5,9-11,13H,1,4,6,15H2,2-3H3,(H,16,18)/t9?,10?,11-,13-/m1/s1.
What are the key properties of 5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one?
5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one has a molecular weight of 301.32 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one is sourced from PubChem (CID 58287935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).