(3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one

C10H17N3O6 — CID 70587143

IUPAC(3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1ccnc(=O)[nH]1.OC[C@H]1OC(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H7N3O.C5H10O5/c1-6-4-2-3-7-5(9)8-4;6-1-2-3(7)4(8)5(9)10-2/h2-3H,1H3,(H2,6,7,8,9);2-9H,1H2/t;2-,3-,4+,5?/m.1/s1
InChIKeyVKBAYGBMNXQOEP-PDYHEMABSA-N
MW275.26 g/mol
LogP-2.77
Rot. Bonds2

About (3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one

(3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one (PubChem CID 70587143) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is (3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one
PubChem CID70587143
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name(3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1ccnc(=O)[nH]1.OC[C@H]1OC(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H7N3O.C5H10O5/c1-6-4-2-3-7-5(9)8-4;6-1-2-3(7)4(8)5(9)10-2/h2-3H,1H3,(H2,6,7,8,9);2-9H,1H2/t;2-,3-,4+,5?/m.1/s1
InChIKeyVKBAYGBMNXQOEP-PDYHEMABSA-N
XLogP-2.77
TPSA147.93 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.26
LogP ≤ 5-2.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one with MolForge

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Related Compounds

6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one
CID 57112270
6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylamino]-1H-pyrimidin-2-one
CID 90116262
6-(methylamino)-1H-pyrimidin-2-one;hydrochloride
CID 21490026
N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CID 70006550
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
CID 118005028
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one
CID 67800046
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;6-amino-1H-pyrimidin-2-one
CID 66686495
6-[(3,4,5-trihydroxyoxan-2-yl)amino]-1H-pyrimidin-2-one
CID 22321089
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one?
The IUPAC name of (3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one (CID 70587143) is (3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for (3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one?
The canonical SMILES for (3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one is CNc1ccnc(=O)[nH]1.OC[C@H]1OC(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one?
The InChIKey is VKBAYGBMNXQOEP-PDYHEMABSA-N. The full InChI is InChI=1S/C5H7N3O.C5H10O5/c1-6-4-2-3-7-5(9)8-4;6-1-2-3(7)4(8)5(9)10-2/h2-3H,1H3,(H2,6,7,8,9);2-9H,1H2/t;2-,3-,4+,5?/m.1/s1.
What are the key properties of (3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one?
(3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one has a molecular weight of 275.26 g/mol, XLogP of -2.77, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 70587143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).