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

C12H18FN3O4 — CID 153492267

IUPAC4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCOC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)C(F)C1OC
InChIInChI=1S/C12H18FN3O4/c1-6-4-16(12(17)15-10(6)14)11-8(13)9(19-3)7(20-11)5-18-2/h4,7-9,11H,5H2,1-3H3,(H2,14,15,17)/t7-,8?,9?,11-/m1/s1
InChIKeyDDGLFEADQYCZPK-NHSUTOTLSA-N
MW287.29 g/mol
LogP0.03
Rot. Bonds4

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

4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one (PubChem CID 153492267) has the molecular formula C12H18FN3O4 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
PubChem CID153492267
Molecular FormulaC12H18FN3O4
Molecular Weight287.29 g/mol
Exact Mass287.13
IUPAC Name4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
SMILESCOC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)C(F)C1OC
InChIInChI=1S/C12H18FN3O4/c1-6-4-16(12(17)15-10(6)14)11-8(13)9(19-3)7(20-11)5-18-2/h4,7-9,11H,5H2,1-3H3,(H2,14,15,17)/t7-,8?,9?,11-/m1/s1
InChIKeyDDGLFEADQYCZPK-NHSUTOTLSA-N
XLogP0.03
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one (CID 153492267) is 4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one is COC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)C(F)C1OC.
What is the InChIKey of 4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
The InChIKey is DDGLFEADQYCZPK-NHSUTOTLSA-N. The full InChI is InChI=1S/C12H18FN3O4/c1-6-4-16(12(17)15-10(6)14)11-8(13)9(19-3)7(20-11)5-18-2/h4,7-9,11H,5H2,1-3H3,(H2,14,15,17)/t7-,8?,9?,11-/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 287.29 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 153492267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).