4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one

C11H15N3O6 — CID 163296354

IUPAC4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2OC(CO)=C(O)C2OCCO)c(=O)n1
InChIInChI=1S/C11H15N3O6/c12-7-1-2-14(11(18)13-7)10-9(19-4-3-15)8(17)6(5-16)20-10/h1-2,9-10,15-17H,3-5H2,(H2,12,13,18)/t9?,10-/m1/s1
InChIKeyZVZLYGPCSUAAAW-QVDQXJPCSA-N
MW285.26 g/mol
LogP-1.51
Rot. Bonds5

About 4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one

4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one (PubChem CID 163296354) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one
PubChem CID163296354
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2OC(CO)=C(O)C2OCCO)c(=O)n1
InChIInChI=1S/C11H15N3O6/c12-7-1-2-14(11(18)13-7)10-9(19-4-3-15)8(17)6(5-16)20-10/h1-2,9-10,15-17H,3-5H2,(H2,12,13,18)/t9?,10-/m1/s1
InChIKeyZVZLYGPCSUAAAW-QVDQXJPCSA-N
XLogP-1.51
TPSA140.06 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one
CID 144647523
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
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-[(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
CID 12795778
4-amino-1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 23615336
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67175693
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 57300571
4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]pyrimidin-2-one
CID 66725496
4-amino-1-[(2R,3S,4S,5R)-4-amino-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 67026931
4-amino-1-[(4R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59721059

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one (CID 163296354) is 4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one is Nc1ccn([C@@H]2OC(CO)=C(O)C2OCCO)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one?
The InChIKey is ZVZLYGPCSUAAAW-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H15N3O6/c12-7-1-2-14(11(18)13-7)10-9(19-4-3-15)8(17)6(5-16)20-10/h1-2,9-10,15-17H,3-5H2,(H2,12,13,18)/t9?,10-/m1/s1.
What are the key properties of 4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one?
4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one has a molecular weight of 285.26 g/mol, XLogP of -1.51, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R)-4-hydroxy-3-(2-hydroxyethoxy)-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidin-2-one is sourced from PubChem (CID 163296354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).