4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one

C13H18FN3O4 — CID 143870346

IUPAC4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one
SMILESCOCC1=C(OC)C(C)(F)[C@H](n2cc(C)c(N)nc2=O)O1
InChIInChI=1S/C13H18FN3O4/c1-7-5-17(12(18)16-10(7)15)11-13(2,14)9(20-4)8(21-11)6-19-3/h5,11H,6H2,1-4H3,(H2,15,16,18)/t11-,13?/m1/s1
InChIKeyHMUYQKRACKDRLU-JTDNENJMSA-N
MW299.30 g/mol
LogP0.90
Rot. Bonds4

About 4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one

4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one (PubChem CID 143870346) has the molecular formula C13H18FN3O4 and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one
PubChem CID143870346
Molecular FormulaC13H18FN3O4
Molecular Weight299.30 g/mol
Exact Mass299.13
IUPAC Name4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one
SMILESCOCC1=C(OC)C(C)(F)[C@H](n2cc(C)c(N)nc2=O)O1
InChIInChI=1S/C13H18FN3O4/c1-7-5-17(12(18)16-10(7)15)11-13(2,14)9(20-4)8(21-11)6-19-3/h5,11H,6H2,1-4H3,(H2,15,16,18)/t11-,13?/m1/s1
InChIKeyHMUYQKRACKDRLU-JTDNENJMSA-N
XLogP0.90
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 50.90
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)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one (CID 143870346) is 4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one is COCC1=C(OC)C(C)(F)[C@H](n2cc(C)c(N)nc2=O)O1.
What is the InChIKey of 4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one?
The InChIKey is HMUYQKRACKDRLU-JTDNENJMSA-N. The full InChI is InChI=1S/C13H18FN3O4/c1-7-5-17(12(18)16-10(7)15)11-13(2,14)9(20-4)8(21-11)6-19-3/h5,11H,6H2,1-4H3,(H2,15,16,18)/t11-,13?/m1/s1.
What are the key properties of 4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(2R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 299.30 g/mol, XLogP of 0.90, 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)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2H-furan-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 143870346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).