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

C11H13N3O4 — CID 22860551

IUPAC4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2C[C@H](O)[C@@H](C3C=CO3)O2)c(=O)n1
InChIInChI=1S/C11H13N3O4/c12-8-1-3-14(11(16)13-8)9-5-6(15)10(18-9)7-2-4-17-7/h1-4,6-7,9-10,15H,5H2,(H2,12,13,16)/t6-,7?,9+,10-/m0/s1
InChIKeyFCXJVUUPFVUDKF-OPTJUTRRSA-N
MW251.24 g/mol
LogP-0.61
Rot. Bonds2

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

4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 22860551) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one
PubChem CID22860551
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2C[C@H](O)[C@@H](C3C=CO3)O2)c(=O)n1
InChIInChI=1S/C11H13N3O4/c12-8-1-3-14(11(16)13-8)9-5-6(15)10(18-9)7-2-4-17-7/h1-4,6-7,9-10,15H,5H2,(H2,12,13,16)/t6-,7?,9+,10-/m0/s1
InChIKeyFCXJVUUPFVUDKF-OPTJUTRRSA-N
XLogP-0.61
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one with MolForge

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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-[(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
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hypobromite
CID 57150003
bis(4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one);aminophosphonous acid
CID 67722421
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 624
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(methylperoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 18644771
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydrate
CID 71317334
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
CID 25323089

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one (CID 22860551) is 4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one is Nc1ccn([C@H]2C[C@H](O)[C@@H](C3C=CO3)O2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is FCXJVUUPFVUDKF-OPTJUTRRSA-N. The full InChI is InChI=1S/C11H13N3O4/c12-8-1-3-14(11(16)13-8)9-5-6(15)10(18-9)7-2-4-17-7/h1-4,6-7,9-10,15H,5H2,(H2,12,13,16)/t6-,7?,9+,10-/m0/s1.
What are the key properties of 4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 251.24 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5S)-4-hydroxy-5-(2H-oxet-2-yl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 22860551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).