4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

C11H16FN3O5 — CID 69436619

IUPAC4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCc1cn([C@@H]2O[C@H](CO)C(O)C2OCF)c(=O)nc1N
InChIInChI=1S/C11H16FN3O5/c1-5-2-15(11(18)14-9(5)13)10-8(19-4-12)7(17)6(3-16)20-10/h2,6-8,10,16-17H,3-4H2,1H3,(H2,13,14,18)/t6-,7?,8?,10-/m1/s1
InChIKeyHGRXSAORUFQDQZ-NPDIDSPYSA-N
MW289.26 g/mol
LogP-1.30
Rot. Bonds4

About 4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one (PubChem CID 69436619) has the molecular formula C11H16FN3O5 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
PubChem CID69436619
Molecular FormulaC11H16FN3O5
Molecular Weight289.26 g/mol
Exact Mass289.11
IUPAC Name4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCc1cn([C@@H]2O[C@H](CO)C(O)C2OCF)c(=O)nc1N
InChIInChI=1S/C11H16FN3O5/c1-5-2-15(11(18)14-9(5)13)10-8(19-4-12)7(17)6(3-16)20-10/h2,6-8,10,16-17H,3-4H2,1H3,(H2,13,14,18)/t6-,7?,8?,10-/m1/s1
InChIKeyHGRXSAORUFQDQZ-NPDIDSPYSA-N
XLogP-1.30
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one (CID 69436619) is 4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one is Cc1cn([C@@H]2O[C@H](CO)C(O)C2OCF)c(=O)nc1N.
What is the InChIKey of 4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The InChIKey is HGRXSAORUFQDQZ-NPDIDSPYSA-N. The full InChI is InChI=1S/C11H16FN3O5/c1-5-2-15(11(18)14-9(5)13)10-8(19-4-12)7(17)6(3-16)20-10/h2,6-8,10,16-17H,3-4H2,1H3,(H2,13,14,18)/t6-,7?,8?,10-/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 289.26 g/mol, XLogP of -1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5R)-3-(fluoromethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 69436619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).