4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

C11H16FN3O5 — CID 66777545

IUPAC4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(O)F)c(=O)nc1N
InChIInChI=1S/C11H16FN3O5/c1-2-5-3-15(10(18)14-8(5)13)9-11(12,19)7(17)6(4-16)20-9/h3,6-7,9,16-17,19H,2,4H2,1H3,(H2,13,14,18)/t6-,7-,9-,11+/m1/s1
InChIKeyFCFZQEKYHGECIM-XGEHYKCOSA-N
MW289.26 g/mol
LogP-1.70
Rot. Bonds3

About 4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 66777545) has the molecular formula C11H16FN3O5 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID66777545
Molecular FormulaC11H16FN3O5
Molecular Weight289.26 g/mol
Exact Mass289.11
IUPAC Name4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(O)F)c(=O)nc1N
InChIInChI=1S/C11H16FN3O5/c1-2-5-3-15(10(18)14-8(5)13)9-11(12,19)7(17)6(4-16)20-9/h3,6-7,9,16-17,19H,2,4H2,1H3,(H2,13,14,18)/t6-,7-,9-,11+/m1/s1
InChIKeyFCFZQEKYHGECIM-XGEHYKCOSA-N
XLogP-1.70
TPSA130.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[(3S,4R,5R)-2-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hypoiodite
CID 67915120
4-amino-1-[(2R,3R,5R)-3-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 130425928
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 121487046
N-[1-[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]butanamide
CID 172624531
4-amino-5-[(E)-but-2-enyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70562905
4-amino-1-[(2R,3S,4R,5R)-4-deuterio-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 175725100
4-amino-5-[(E)-prop-1-enyl]-1-[3,3,4-trifluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 142274796
4-amino-1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-(1-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 54203018
4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 58855695
4-amino-1-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11054511
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidin-2-one
CID 129010189

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 66777545) is 4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is CCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(O)F)c(=O)nc1N.
What is the InChIKey of 4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is FCFZQEKYHGECIM-XGEHYKCOSA-N. The full InChI is InChI=1S/C11H16FN3O5/c1-2-5-3-15(10(18)14-8(5)13)9-11(12,19)7(17)6(4-16)20-9/h3,6-7,9,16-17,19H,2,4H2,1H3,(H2,13,14,18)/t6-,7-,9-,11+/m1/s1.
What are the key properties of 4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 289.26 g/mol, XLogP of -1.70, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-1-[(2R,3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 66777545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).