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

C10H16N4O6 — CID 135697433

IUPAC4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one
SMILESCOc1nc(N)c(N[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C10H16N4O6/c1-19-10-13-7(11)4(8(18)14-10)12-9-6(17)5(16)3(2-15)20-9/h3,5-6,9,12,15-17H,2H2,1H3,(H3,11,13,14,18)/t3-,5-,6+,9+/m0/s1
InChIKeyKWNLCXYORSLHIP-BZKDHIKHSA-N
MW288.26 g/mol
LogP-2.79
Rot. Bonds4

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

4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one (PubChem CID 135697433) has the molecular formula C10H16N4O6 and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one
PubChem CID135697433
Molecular FormulaC10H16N4O6
Molecular Weight288.26 g/mol
Exact Mass288.11
IUPAC Name4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one
SMILESCOc1nc(N)c(N[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C10H16N4O6/c1-19-10-13-7(11)4(8(18)14-10)12-9-6(17)5(16)3(2-15)20-9/h3,5-6,9,12,15-17H,2H2,1H3,(H3,11,13,14,18)/t3-,5-,6+,9+/m0/s1
InChIKeyKWNLCXYORSLHIP-BZKDHIKHSA-N
XLogP-2.79
TPSA162.95 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 5-2.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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

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Related Compounds

5-chloro-2-methoxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1H-pyrimidin-6-one
CID 135402402
4-methoxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrrolo[3,4-c]pyridine-1,3-dione
CID 10641900
6-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one
CID 68987348
2-methylsulfanyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1H-pyrimidin-6-one
CID 136795273
2,3-diamino-6-[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-4-one
CID 57002864
6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one
CID 57112270
2,5-diamino-4-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-1H-pyrimidin-6-one
CID 143349860
(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,3R,4S,5S,6R)-2-[[5-amino-2-(dimethylamino)pyrimidin-4-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171383933
2-(4-aminoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89146864
(3S,4S,5R)-2-(4,5-dihydro-1,3-oxazol-2-ylamino)-5-(hydroxymethyl)oxolane-3,4-diol
CID 68625067
3-amino-5-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1-methylpyrimido[4,5-c]pyridazin-4-one
CID 90467042

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one (CID 135697433) is 4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one is COc1nc(N)c(N[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one?
The InChIKey is KWNLCXYORSLHIP-BZKDHIKHSA-N. The full InChI is InChI=1S/C10H16N4O6/c1-19-10-13-7(11)4(8(18)14-10)12-9-6(17)5(16)3(2-15)20-9/h3,5-6,9,12,15-17H,2H2,1H3,(H3,11,13,14,18)/t3-,5-,6+,9+/m0/s1.
What are the key properties of 4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one?
4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one has a molecular weight of 288.26 g/mol, XLogP of -2.79, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 135697433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).