6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one

C9H13N3O5 — CID 57112270

IUPAC6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one
SMILESO=c1nccc(N[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[nH]1
InChIInChI=1S/C9H13N3O5/c13-3-4-6(14)7(15)8(17-4)11-5-1-2-10-9(16)12-5/h1-2,4,6-8,13-15H,3H2,(H2,10,11,12,16)/t4-,6-,7+,8+/m1/s1
InChIKeyRHCAZYILHJYUKB-GVYWOMJSSA-N
MW243.22 g/mol
LogP-2.38
Rot. Bonds3

About 6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one

6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one (PubChem CID 57112270) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one
PubChem CID57112270
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one
SMILESO=c1nccc(N[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[nH]1
InChIInChI=1S/C9H13N3O5/c13-3-4-6(14)7(15)8(17-4)11-5-1-2-10-9(16)12-5/h1-2,4,6-8,13-15H,3H2,(H2,10,11,12,16)/t4-,6-,7+,8+/m1/s1
InChIKeyRHCAZYILHJYUKB-GVYWOMJSSA-N
XLogP-2.38
TPSA127.70 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-2.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one with MolForge

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Related Compounds

(3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one
CID 70587143
6-[(3,4,5-trihydroxyoxan-2-yl)amino]-1H-pyrimidin-2-one
CID 22321089
6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylamino]-1H-pyrimidin-2-one
CID 90116262
6-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one
CID 68987348
5-[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-imidazole-2-carboxylic acid
CID 57190679
N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CID 70006550
(2S,5R)-2-[4-[[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]anilino]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11836445
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol
CID 57224028
2-methylsulfanyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1H-pyrimidin-6-one
CID 136795273
(2S,3S,4R,5S,6S)-2-(4-chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7161461
(2R,3R,4R,5S,6S)-2-(4-chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7161460
1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one
CID 140598753

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one?
The IUPAC name of 6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one (CID 57112270) is 6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one is O=c1nccc(N[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[nH]1.
What is the InChIKey of 6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one?
The InChIKey is RHCAZYILHJYUKB-GVYWOMJSSA-N. The full InChI is InChI=1S/C9H13N3O5/c13-3-4-6(14)7(15)8(17-4)11-5-1-2-10-9(16)12-5/h1-2,4,6-8,13-15H,3H2,(H2,10,11,12,16)/t4-,6-,7+,8+/m1/s1.
What are the key properties of 6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one?
6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one has a molecular weight of 243.22 g/mol, XLogP of -2.38, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one is sourced from PubChem (CID 57112270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).