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

C17H27N3O9 — CID 163570061

IUPAC6-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
SMILESC[C@@H]1C(CO)O[C@@H](OCC2=CN([C@H]3CC(O)=C(CO)O3)C(=O)NC2N)C(O)C1O
InChIInChI=1S/C17H27N3O9/c1-7-10(4-21)29-16(14(25)13(7)24)27-6-8-3-20(17(26)19-15(8)18)12-2-9(23)11(5-22)28-12/h3,7,10,12-16,21-25H,2,4-6,18H2,1H3,(H,19,26)/t7-,10?,12-,13?,14?,15?,16-/m1/s1
InChIKeyFYOMDHWCMWYDOM-FMTQOHSASA-N
MW417.42 g/mol
LogP-2.22
Rot. Bonds6

About 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

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 (PubChem CID 163570061) has the molecular formula C17H27N3O9 and a molecular weight of 417.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID163570061
Molecular FormulaC17H27N3O9
Molecular Weight417.42 g/mol
Exact Mass417.17
IUPAC Name6-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
SMILESC[C@@H]1C(CO)O[C@@H](OCC2=CN([C@H]3CC(O)=C(CO)O3)C(=O)NC2N)C(O)C1O
InChIInChI=1S/C17H27N3O9/c1-7-10(4-21)29-16(14(25)13(7)24)27-6-8-3-20(17(26)19-15(8)18)12-2-9(23)11(5-22)28-12/h3,7,10,12-16,21-25H,2,4-6,18H2,1H3,(H,19,26)/t7-,10?,12-,13?,14?,15?,16-/m1/s1
InChIKeyFYOMDHWCMWYDOM-FMTQOHSASA-N
XLogP-2.22
TPSA187.20 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 5-2.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1C(CO)O[C@@H](OCC2=CN([C@H]3CC(O)=C(CO)O3)C(=O)NC2N)C(O)C1O.
What is the InChIKey of 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?
The InChIKey is FYOMDHWCMWYDOM-FMTQOHSASA-N. The full InChI is InChI=1S/C17H27N3O9/c1-7-10(4-21)29-16(14(25)13(7)24)27-6-8-3-20(17(26)19-15(8)18)12-2-9(23)11(5-22)28-12/h3,7,10,12-16,21-25H,2,4-6,18H2,1H3,(H,19,26)/t7-,10?,12-,13?,14?,15?,16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 417.42 g/mol, XLogP of -2.22, 6 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163570061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).