4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one

C9H11FN4O4 — CID 90254350

IUPAC4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one
SMILESNC1=C(n2ccc(N)nc2=O)O[C@](F)(CO)[C@H]1O
InChIInChI=1S/C9H11FN4O4/c10-9(3-15)6(16)5(12)7(18-9)14-2-1-4(11)13-8(14)17/h1-2,6,15-16H,3,12H2,(H2,11,13,17)/t6-,9+/m0/s1
InChIKeyILRZQEDCTPIBKU-IMTBSYHQSA-N
MW258.21 g/mol
LogP-2.04
Rot. Bonds2

About 4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one

4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one (PubChem CID 90254350) has the molecular formula C9H11FN4O4 and a molecular weight of 258.21 g/mol. Its IUPAC name is 4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one
PubChem CID90254350
Molecular FormulaC9H11FN4O4
Molecular Weight258.21 g/mol
Exact Mass258.08
IUPAC Name4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one
SMILESNC1=C(n2ccc(N)nc2=O)O[C@](F)(CO)[C@H]1O
InChIInChI=1S/C9H11FN4O4/c10-9(3-15)6(16)5(12)7(18-9)14-2-1-4(11)13-8(14)17/h1-2,6,15-16H,3,12H2,(H2,11,13,17)/t6-,9+/m0/s1
InChIKeyILRZQEDCTPIBKU-IMTBSYHQSA-N
XLogP-2.04
TPSA136.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[(3R,4S,5S)-3-azido-5-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 90254326
4-amino-1-[(1S,3R,4R,5S)-5-fluoro-4-hydroxy-3-(hydroxymethyl)-3-methyl-2-oxabicyclo[3.1.0]hexan-6-yl]pyrimidin-2-one
CID 144766969
4-amino-1-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
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
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]pyrimidin-2-one;hydrochloride
CID 117072635
4-amino-1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 101384097
4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one
CID 142604168
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxypyrimidin-2-one
CID 66734989
4-amino-1-[3,4-dihydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 22677597
4-amino-1-[(2R,4R,5R)-5-ethynyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 23519644
4-amino-1-[(2R,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methylsulfanyloxolan-2-yl]pyrimidin-2-one
CID 71761488

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one (CID 90254350) is 4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one is NC1=C(n2ccc(N)nc2=O)O[C@](F)(CO)[C@H]1O.
What is the InChIKey of 4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one?
The InChIKey is ILRZQEDCTPIBKU-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H11FN4O4/c10-9(3-15)6(16)5(12)7(18-9)14-2-1-4(11)13-8(14)17/h1-2,6,15-16H,3,12H2,(H2,11,13,17)/t6-,9+/m0/s1.
What are the key properties of 4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one?
4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one has a molecular weight of 258.21 g/mol, XLogP of -2.04, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one is sourced from PubChem (CID 90254350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).