4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one

C11H15N3O5 — CID 67773541

IUPAC4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@]23CCO3)c(=O)n1
InChIInChI=1S/C11H15N3O5/c12-7-1-3-14(10(17)13-7)9-11(2-4-18-11)8(16)6(5-15)19-9/h1,3,6,8-9,15-16H,2,4-5H2,(H2,12,13,17)/t6-,8-,9-,11-/m1/s1
InChIKeyIAWVRYQPXVENTD-PNHWDRBUSA-N
MW269.26 g/mol
LogP-1.76
Rot. Bonds2

About 4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one

4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one (PubChem CID 67773541) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one
PubChem CID67773541
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@]23CCO3)c(=O)n1
InChIInChI=1S/C11H15N3O5/c12-7-1-3-14(10(17)13-7)9-11(2-4-18-11)8(16)6(5-15)19-9/h1,3,6,8-9,15-16H,2,4-5H2,(H2,12,13,17)/t6-,8-,9-,11-/m1/s1
InChIKeyIAWVRYQPXVENTD-PNHWDRBUSA-N
XLogP-1.76
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-[(2R,4R,5R)-3,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 54511500
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidin-2-one
CID 129010189
4-amino-1-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11054511
4-amino-1-[(2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 66576269
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 117072635
4-amino-1-[(2R,3R,4R,5R)-3-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 24885222
4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 58855695
potassium;4-amino-1-[(4S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;carbanide
CID 156727396
4-amino-1-[(3R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 155889313
(2R,3S,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile
CID 22875357
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one
CID 66555025

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one (CID 67773541) is 4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one is Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@]23CCO3)c(=O)n1.
What is the InChIKey of 4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one?
The InChIKey is IAWVRYQPXVENTD-PNHWDRBUSA-N. The full InChI is InChI=1S/C11H15N3O5/c12-7-1-3-14(10(17)13-7)9-11(2-4-18-11)8(16)6(5-15)19-9/h1,3,6,8-9,15-16H,2,4-5H2,(H2,12,13,17)/t6-,8-,9-,11-/m1/s1.
What are the key properties of 4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one?
4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one has a molecular weight of 269.26 g/mol, XLogP of -1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(4R,5R,6R,8R)-5-hydroxy-6-(hydroxymethyl)-1,7-dioxaspiro[3.4]octan-8-yl]pyrimidin-2-one is sourced from PubChem (CID 67773541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).