4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one

C10H14IN3O2 — CID 174006574

IUPAC4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one
SMILESCC[C@@H]1CC(I)[C@H](n2ccc(N)nc2=O)O1
InChIInChI=1S/C10H14IN3O2/c1-2-6-5-7(11)9(16-6)14-4-3-8(12)13-10(14)15/h3-4,6-7,9H,2,5H2,1H3,(H2,12,13,15)/t6-,7?,9-/m1/s1
InChIKeyOGKMTZHZNRGMTH-HWABHILUSA-N
MW335.15 g/mol
LogP1.33
Rot. Bonds2

About 4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one (PubChem CID 174006574) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one
PubChem CID174006574
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one
SMILESCC[C@@H]1CC(I)[C@H](n2ccc(N)nc2=O)O1
InChIInChI=1S/C10H14IN3O2/c1-2-6-5-7(11)9(16-6)14-4-3-8(12)13-10(14)15/h3-4,6-7,9H,2,5H2,1H3,(H2,12,13,15)/t6-,7?,9-/m1/s1
InChIKeyOGKMTZHZNRGMTH-HWABHILUSA-N
XLogP1.33
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71344855
4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one
CID 174181783
4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
CID 59223220
4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 71210588
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
4-amino-1-[(2S,3S,5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one
CID 10588718
(5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile
CID 143888898
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 13188950
4-amino-1-[(1S,2R,4S,5R)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
CID 10878776
4-amino-1-[(2R,4S,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidin-2-one
CID 58332720
4-amino-1-[(2R,5R)-3-amino-5-ethyl-2,5-dihydrofuran-2-yl]pyrimidin-2-one
CID 143730839
4-amino-1-[(2R,5S)-5-(iodomethyl)oxolan-2-yl]pyrimidin-2-one
CID 124518306

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one (CID 174006574) is 4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one is CC[C@@H]1CC(I)[C@H](n2ccc(N)nc2=O)O1.
What is the InChIKey of 4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one?
The InChIKey is OGKMTZHZNRGMTH-HWABHILUSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-2-6-5-7(11)9(16-6)14-4-3-8(12)13-10(14)15/h3-4,6-7,9H,2,5H2,1H3,(H2,12,13,15)/t6-,7?,9-/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one has a molecular weight of 335.15 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 174006574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).