4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one

C15H25N3O5 — CID 22844691

IUPAC4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2C[C@H](O)[C@@H](COCCCCCCO)O2)c(=O)n1
InChIInChI=1S/C15H25N3O5/c16-13-5-6-18(15(21)17-13)14-9-11(20)12(23-14)10-22-8-4-2-1-3-7-19/h5-6,11-12,14,19-20H,1-4,7-10H2,(H2,16,17,21)/t11-,12+,14+/m0/s1
InChIKeyDZJPYGDOMCFEFT-OUCADQQQSA-N
MW327.38 g/mol
LogP0.04
Rot. Bonds9

About 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 22844691) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID22844691
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2C[C@H](O)[C@@H](COCCCCCCO)O2)c(=O)n1
InChIInChI=1S/C15H25N3O5/c16-13-5-6-18(15(21)17-13)14-9-11(20)12(23-14)10-22-8-4-2-1-3-7-19/h5-6,11-12,14,19-20H,1-4,7-10H2,(H2,16,17,21)/t11-,12+,14+/m0/s1
InChIKeyDZJPYGDOMCFEFT-OUCADQQQSA-N
XLogP0.04
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hypobromite
CID 57150003
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
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 624
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydrate
CID 71317334
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(methylperoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 18644771
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
CID 25323089
4-amino-1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 14133066
4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 69432831
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate
CID 57011144
4-amino-1-[(2R,4S,5R)-5-[[amino(hydroxy)phosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 67722276
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 22844691) is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one is Nc1ccn([C@H]2C[C@H](O)[C@@H](COCCCCCCO)O2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is DZJPYGDOMCFEFT-OUCADQQQSA-N. The full InChI is InChI=1S/C15H25N3O5/c16-13-5-6-18(15(21)17-13)14-9-11(20)12(23-14)10-22-8-4-2-1-3-7-19/h5-6,11-12,14,19-20H,1-4,7-10H2,(H2,16,17,21)/t11-,12+,14+/m0/s1.
What are the key properties of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 327.38 g/mol, XLogP of 0.04, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 22844691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).