1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine

C13H20FN3O4 — CID 159140478

IUPAC1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine
SMILESC=C1N=C(N)C(F)=CN1[C@@H]1O[C@H](COC)C(OC)C1OC
InChIInChI=1S/C13H20FN3O4/c1-7-16-12(15)8(14)5-17(7)13-11(20-4)10(19-3)9(21-13)6-18-2/h5,9-11,13H,1,6H2,2-4H3,(H2,15,16)/t9-,10?,11?,13-/m1/s1
InChIKeyPRGQCTPLWKJQJG-ZUYNKMSQSA-N
MW301.32 g/mol
LogP0.34
Rot. Bonds5

About 1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine

1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine (PubChem CID 159140478) has the molecular formula C13H20FN3O4 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine.

Molecular Properties

Compound Name1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine
PubChem CID159140478
Molecular FormulaC13H20FN3O4
Molecular Weight301.32 g/mol
Exact Mass301.14
IUPAC Name1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine
SMILESC=C1N=C(N)C(F)=CN1[C@@H]1O[C@H](COC)C(OC)C1OC
InChIInChI=1S/C13H20FN3O4/c1-7-16-12(15)8(14)5-17(7)13-11(20-4)10(19-3)9(21-13)6-18-2/h5,9-11,13H,1,6H2,2-4H3,(H2,15,16)/t9-,10?,11?,13-/m1/s1
InChIKeyPRGQCTPLWKJQJG-ZUYNKMSQSA-N
XLogP0.34
TPSA78.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine
CID 58287889
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine
CID 165070456
[(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol
CID 163912563
5-(aminomethyl)-1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 58287935
1-[(2R,4R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one
CID 58287943
(2R,3R,4R,5R)-5-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-4-methoxyoxolan-3-ol
CID 158979990
[5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate
CID 20821635
9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 56634843
(2R,3R,4S)-2-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
CID 90275991
4-amino-1-[(2R,3R,4R,5R)-4-methoxy-5-(methoxymethyl)-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one
CID 161190731
[[(2R,3R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-5-[5-fluoro-2,4-bis(sulfanylidene)pyrimidin-1-yl]-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 158944755
1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-methylidenepyrimidin-4-amine
CID 165081348

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine?
The IUPAC name of 1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine (CID 159140478) is 1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine.
What is the SMILES notation for 1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine?
The canonical SMILES for 1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine is C=C1N=C(N)C(F)=CN1[C@@H]1O[C@H](COC)C(OC)C1OC.
What is the InChIKey of 1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine?
The InChIKey is PRGQCTPLWKJQJG-ZUYNKMSQSA-N. The full InChI is InChI=1S/C13H20FN3O4/c1-7-16-12(15)8(14)5-17(7)13-11(20-4)10(19-3)9(21-13)6-18-2/h5,9-11,13H,1,6H2,2-4H3,(H2,15,16)/t9-,10?,11?,13-/m1/s1.
What are the key properties of 1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine?
1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine has a molecular weight of 301.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine is sourced from PubChem (CID 159140478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).