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

C13H20FN3O3 — CID 157213786

IUPAC1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine
SMILESC=C1N=C(N)C(C)=CN1[C@@H]1O[C@H](COC)C(OC)C1F
InChIInChI=1S/C13H20FN3O3/c1-7-5-17(8(2)16-12(7)15)13-10(14)11(19-4)9(20-13)6-18-3/h5,9-11,13H,2,6H2,1,3-4H3,(H2,15,16)/t9-,10?,11?,13-/m1/s1
InChIKeyGFOGUHCNYNKVCT-ZUYNKMSQSA-N
MW285.32 g/mol
LogP0.76
Rot. Bonds4

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

1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine (PubChem CID 157213786) has the molecular formula C13H20FN3O3 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine.

Molecular Properties

Compound Name1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine
PubChem CID157213786
Molecular FormulaC13H20FN3O3
Molecular Weight285.32 g/mol
Exact Mass285.15
IUPAC Name1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine
SMILESC=C1N=C(N)C(C)=CN1[C@@H]1O[C@H](COC)C(OC)C1F
InChIInChI=1S/C13H20FN3O3/c1-7-5-17(8(2)16-12(7)15)13-10(14)11(19-4)9(20-13)6-18-3/h5,9-11,13H,2,6H2,1,3-4H3,(H2,15,16)/t9-,10?,11?,13-/m1/s1
InChIKeyGFOGUHCNYNKVCT-ZUYNKMSQSA-N
XLogP0.76
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine?
The IUPAC name of 1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine (CID 157213786) is 1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine.
What is the SMILES notation for 1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine?
The canonical SMILES for 1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine is C=C1N=C(N)C(C)=CN1[C@@H]1O[C@H](COC)C(OC)C1F.
What is the InChIKey of 1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine?
The InChIKey is GFOGUHCNYNKVCT-ZUYNKMSQSA-N. The full InChI is InChI=1S/C13H20FN3O3/c1-7-5-17(8(2)16-12(7)15)13-10(14)11(19-4)9(20-13)6-18-3/h5,9-11,13H,2,6H2,1,3-4H3,(H2,15,16)/t9-,10?,11?,13-/m1/s1.
What are the key properties of 1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine?
1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine has a molecular weight of 285.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine is sourced from PubChem (CID 157213786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).