5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one

C13H20N2O5 — CID 58288017

IUPAC5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one
SMILESC=C1NC(=O)N(C)C=C1[C@@H]1O[C@H](COC)C(OC)[C@@H]1O
InChIInChI=1S/C13H20N2O5/c1-7-8(5-15(2)13(17)14-7)11-10(16)12(19-4)9(20-11)6-18-3/h5,9-12,16H,1,6H2,2-4H3,(H,14,17)/t9-,10-,11+,12?/m1/s1
InChIKeyKHEZCHAGKLHSHA-YIBTVLSRSA-N
MW284.31 g/mol
LogP-0.17
Rot. Bonds4

About 5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one

5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one (PubChem CID 58288017) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one.

Molecular Properties

Compound Name5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one
PubChem CID58288017
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one
SMILESC=C1NC(=O)N(C)C=C1[C@@H]1O[C@H](COC)C(OC)[C@@H]1O
InChIInChI=1S/C13H20N2O5/c1-7-8(5-15(2)13(17)14-7)11-10(16)12(19-4)9(20-11)6-18-3/h5,9-12,16H,1,6H2,2-4H3,(H,14,17)/t9-,10-,11+,12?/m1/s1
InChIKeyKHEZCHAGKLHSHA-YIBTVLSRSA-N
XLogP-0.17
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one?
The IUPAC name of 5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one (CID 58288017) is 5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one.
What is the SMILES notation for 5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one?
The canonical SMILES for 5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one is C=C1NC(=O)N(C)C=C1[C@@H]1O[C@H](COC)C(OC)[C@@H]1O.
What is the InChIKey of 5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one?
The InChIKey is KHEZCHAGKLHSHA-YIBTVLSRSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-7-8(5-15(2)13(17)14-7)11-10(16)12(19-4)9(20-11)6-18-3/h5,9-12,16H,1,6H2,2-4H3,(H,14,17)/t9-,10-,11+,12?/m1/s1.
What are the key properties of 5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one?
5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one has a molecular weight of 284.31 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3R,5R)-3-hydroxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1-methyl-4-methylidenepyrimidin-2-one is sourced from PubChem (CID 58288017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).