4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one

C14H18N4O8 — CID 57346285

IUPAC4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one
SMILESCC(=O)C(O)[C@H]1ON(n2ccc(N)nc2=O)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O
InChIInChI=1S/C14H18N4O8/c1-6(19)10(22)11-13(24,7(2)20)14(25,8(3)21)18(26-11)17-5-4-9(15)16-12(17)23/h4-5,10-11,22,24-25H,1-3H3,(H2,15,16,23)/t10?,11-,13-,14-/m1/s1
InChIKeySNOPTHGKJOFTJY-DEULDUTNSA-N
MW370.32 g/mol
LogP-3.38
Rot. Bonds5

About 4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one

4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one (PubChem CID 57346285) has the molecular formula C14H18N4O8 and a molecular weight of 370.32 g/mol. Its IUPAC name is 4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one
PubChem CID57346285
Molecular FormulaC14H18N4O8
Molecular Weight370.32 g/mol
Exact Mass370.11
IUPAC Name4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one
SMILESCC(=O)C(O)[C@H]1ON(n2ccc(N)nc2=O)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O
InChIInChI=1S/C14H18N4O8/c1-6(19)10(22)11-13(24,7(2)20)14(25,8(3)21)18(26-11)17-5-4-9(15)16-12(17)23/h4-5,10-11,22,24-25H,1-3H3,(H2,15,16,23)/t10?,11-,13-,14-/m1/s1
InChIKeySNOPTHGKJOFTJY-DEULDUTNSA-N
XLogP-3.38
TPSA185.28 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.32
LogP ≤ 5-3.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

4-amino-1-[(3R,4R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 146156270
4-amino-1-[(2S,4S,5R)-2,4-diacetyl-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidin-2-one
CID 70365622
1-acetyl-4-aminopyrimidin-2-one;methane
CID 174689479
1-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2-amino-6-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-1-hydroxypropan-2-one
CID 87843644
4-amino-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)butyl]pyrimidin-2-one
CID 90410803
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 59504127
1-[5-acetyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-aminopyrimidin-2-one
CID 22677602
4-amino-1-prop-1-en-2-ylpyrimidin-2-one
CID 145434228
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dimethyloxolan-2-yl]pyrimidin-2-one
CID 66824648
[(2S)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-2-sulfanylethyl] acetate
CID 5481517
2-[(2S,3S,4R,5R,6R)-4,5-diacetyl-4,5-dihydroxy-6-(1-hydroxy-2-oxopropyl)-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione
CID 70254478

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one (CID 57346285) is 4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one is CC(=O)C(O)[C@H]1ON(n2ccc(N)nc2=O)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O.
What is the InChIKey of 4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one?
The InChIKey is SNOPTHGKJOFTJY-DEULDUTNSA-N. The full InChI is InChI=1S/C14H18N4O8/c1-6(19)10(22)11-13(24,7(2)20)14(25,8(3)21)18(26-11)17-5-4-9(15)16-12(17)23/h4-5,10-11,22,24-25H,1-3H3,(H2,15,16,23)/t10?,11-,13-,14-/m1/s1.
What are the key properties of 4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one?
4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one has a molecular weight of 370.32 g/mol, XLogP of -3.38, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3S,4R,5R)-3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-1,2-oxazolidin-2-yl]pyrimidin-2-one is sourced from PubChem (CID 57346285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).