4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one

C9H10FN3O2 — CID 57131518

IUPAC4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one
SMILESC=C1O[C@@H](n2ccc(N)nc2=O)CC1F
InChIInChI=1S/C9H10FN3O2/c1-5-6(10)4-8(15-5)13-3-2-7(11)12-9(13)14/h2-3,6,8H,1,4H2,(H2,11,12,14)/t6?,8-/m1/s1
InChIKeyRZDNFMGXZXQNBV-QFSRMBNQSA-N
MW211.20 g/mol
LogP0.60
Rot. Bonds1

About 4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one (PubChem CID 57131518) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one
PubChem CID57131518
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one
SMILESC=C1O[C@@H](n2ccc(N)nc2=O)CC1F
InChIInChI=1S/C9H10FN3O2/c1-5-6(10)4-8(15-5)13-3-2-7(11)12-9(13)14/h2-3,6,8H,1,4H2,(H2,11,12,14)/t6?,8-/m1/s1
InChIKeyRZDNFMGXZXQNBV-QFSRMBNQSA-N
XLogP0.60
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 13188950
4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one
CID 91595392
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
(2S,3S,5R)-5-(4-amino-2-oxo(213C,1,3-15N2)pyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylic acid
CID 169435689
4-amino-1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 14133066
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
4-amino-1-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]pyrimidin-2-one
CID 53250459
4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 174058525
4-amino-1-[(1S,3R)-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one
CID 67875655
4-amino-1-[(2R,3R,5S)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl](213C,1,3-15N2)pyrimidin-2-one;4-amino-1-[(2R,3S,5S)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl](213C,1,3-15N2)pyrimidin-2-one
CID 71749729
4-amino-1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidin-2-one
CID 23261046

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one (CID 57131518) is 4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one is C=C1O[C@@H](n2ccc(N)nc2=O)CC1F.
What is the InChIKey of 4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one?
The InChIKey is RZDNFMGXZXQNBV-QFSRMBNQSA-N. The full InChI is InChI=1S/C9H10FN3O2/c1-5-6(10)4-8(15-5)13-3-2-7(11)12-9(13)14/h2-3,6,8H,1,4H2,(H2,11,12,14)/t6?,8-/m1/s1.
What are the key properties of 4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one has a molecular weight of 211.20 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 57131518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).