4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one

C10H14FN3O4 — CID 129194259

IUPAC4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one
SMILESC/C(F)=C(/CO)[C@@H](O)[C@@H](O)n1ccc(N)nc1=O
InChIInChI=1S/C10H14FN3O4/c1-5(11)6(4-15)8(16)9(17)14-3-2-7(12)13-10(14)18/h2-3,8-9,15-17H,4H2,1H3,(H2,12,13,18)/b6-5+/t8-,9-/m1/s1
InChIKeyUEQCMIYPFTUBGS-JKKBLNIGSA-N
MW259.24 g/mol
LogP-1.09
Rot. Bonds4

About 4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one

4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one (PubChem CID 129194259) has the molecular formula C10H14FN3O4 and a molecular weight of 259.24 g/mol. Its IUPAC name is 4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one
PubChem CID129194259
Molecular FormulaC10H14FN3O4
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one
SMILESC/C(F)=C(/CO)[C@@H](O)[C@@H](O)n1ccc(N)nc1=O
InChIInChI=1S/C10H14FN3O4/c1-5(11)6(4-15)8(16)9(17)14-3-2-7(12)13-10(14)18/h2-3,8-9,15-17H,4H2,1H3,(H2,12,13,18)/b6-5+/t8-,9-/m1/s1
InChIKeyUEQCMIYPFTUBGS-JKKBLNIGSA-N
XLogP-1.09
TPSA121.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one (CID 129194259) is 4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one is C/C(F)=C(/CO)[C@@H](O)[C@@H](O)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one?
The InChIKey is UEQCMIYPFTUBGS-JKKBLNIGSA-N. The full InChI is InChI=1S/C10H14FN3O4/c1-5(11)6(4-15)8(16)9(17)14-3-2-7(12)13-10(14)18/h2-3,8-9,15-17H,4H2,1H3,(H2,12,13,18)/b6-5+/t8-,9-/m1/s1.
What are the key properties of 4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one?
4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one has a molecular weight of 259.24 g/mol, XLogP of -1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(E,1R,2R)-4-fluoro-1,2-dihydroxy-3-(hydroxymethyl)pent-3-enyl]pyrimidin-2-one is sourced from PubChem (CID 129194259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).