4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one

C11H15N3O3 — CID 174058525

IUPAC4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESC=C[C@@]1(C)O[C@@H](n2ccc(N)nc2=O)C[C@@H]1O
InChIInChI=1S/C11H15N3O3/c1-3-11(2)7(15)6-9(17-11)14-5-4-8(12)13-10(14)16/h3-5,7,9,15H,1,6H2,2H3,(H2,12,13,16)/t7-,9+,11+/m0/s1
InChIKeyLNYKKHXVICLCCU-JVUFJMBOSA-N
MW237.26 g/mol
LogP0.05
Rot. Bonds2

About 4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one (PubChem CID 174058525) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
PubChem CID174058525
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESC=C[C@@]1(C)O[C@@H](n2ccc(N)nc2=O)C[C@@H]1O
InChIInChI=1S/C11H15N3O3/c1-3-11(2)7(15)6-9(17-11)14-5-4-8(12)13-10(14)16/h3-5,7,9,15H,1,6H2,2H3,(H2,12,13,16)/t7-,9+,11+/m0/s1
InChIKeyLNYKKHXVICLCCU-JVUFJMBOSA-N
XLogP0.05
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[(2S,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 176809371
4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 100972802
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid
CID 102277753
4-amino-1-[5-(chloromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 123858985
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 13188950
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethenyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
CID 129147954
(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-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 142192946
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
4-amino-1-[(1S,3R,8S)-8-hydroxy-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.1]octan-3-yl]pyrimidin-2-one
CID 21345057
4-amino-1-[(1S,3R)-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one
CID 67875655
[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 153174258

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one (CID 174058525) is 4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one is C=C[C@@]1(C)O[C@@H](n2ccc(N)nc2=O)C[C@@H]1O.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is LNYKKHXVICLCCU-JVUFJMBOSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-11(2)7(15)6-9(17-11)14-5-4-8(12)13-10(14)16/h3-5,7,9,15H,1,6H2,2H3,(H2,12,13,16)/t7-,9+,11+/m0/s1.
What are the key properties of 4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 237.26 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 174058525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).