6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one

C12H19N3O6 — CID 163983296

IUPAC6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one
SMILESCC1C(CO)OC(OCc2cnc(=O)[nH]c2N)C(O)C1O
InChIInChI=1S/C12H19N3O6/c1-5-7(3-16)21-11(9(18)8(5)17)20-4-6-2-14-12(19)15-10(6)13/h2,5,7-9,11,16-18H,3-4H2,1H3,(H3,13,14,15,19)
InChIKeyTUDDFMGCYKHONF-UHFFFAOYSA-N
MW301.30 g/mol
LogP-2.06
Rot. Bonds4

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

6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one (PubChem CID 163983296) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is 6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one
PubChem CID163983296
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Name6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one
SMILESCC1C(CO)OC(OCc2cnc(=O)[nH]c2N)C(O)C1O
InChIInChI=1S/C12H19N3O6/c1-5-7(3-16)21-11(9(18)8(5)17)20-4-6-2-14-12(19)15-10(6)13/h2,5,7-9,11,16-18H,3-4H2,1H3,(H3,13,14,15,19)
InChIKeyTUDDFMGCYKHONF-UHFFFAOYSA-N
XLogP-2.06
TPSA150.92 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-2.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-5-[[3,4-dihydroxy-5-methoxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-1H-pyrimidin-2-one
CID 155094761
5-fluoro-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidin-2-one
CID 57054689
3-hydroxy-2-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyridine-4-carbaldehyde
CID 18762508
6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylamino]-1H-pyrimidin-2-one
CID 90116262
2-[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122533642
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
CID 118005028
6-amino-9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
CID 59801633
1-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3-thiazol-5-yl]ethanone
CID 132602332
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol
CID 102593926
(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol
CID 129223206
6-amino-5-[[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1,6-dihydropyrimidin-2-one
CID 163570061

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one (CID 163983296) is 6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one is CC1C(CO)OC(OCc2cnc(=O)[nH]c2N)C(O)C1O.
What is the InChIKey of 6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one?
The InChIKey is TUDDFMGCYKHONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O6/c1-5-7(3-16)21-11(9(18)8(5)17)20-4-6-2-14-12(19)15-10(6)13/h2,5,7-9,11,16-18H,3-4H2,1H3,(H3,13,14,15,19).
What are the key properties of 6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one?
6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one has a molecular weight of 301.30 g/mol, XLogP of -2.06, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxymethyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 163983296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).