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1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one

C10H14N2O5 — CID 159440392

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C=CN1[C@@H]1O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C10H14N2O5/c1-5-11-7(14)2-3-12(5)10-9(16)8(15)6(4-13)17-10/h2-3,6,8-10,13,15-16H,1,4H2,(H,11,14)/t6-,8+,9?,10-/m1/s1
InChIKeyKJZMZZMNRVGMEX-UKUJCULDSA-N
MW242.23 g/mol
LogP-2.16
Rot. Bonds2

About 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one

1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one (PubChem CID 159440392) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one.

Molecular Properties

Compound Name1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
PubChem CID159440392
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C=CN1[C@@H]1O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C10H14N2O5/c1-5-11-7(14)2-3-12(5)10-9(16)8(15)6(4-13)17-10/h2-3,6,8-10,13,15-16H,1,4H2,(H,11,14)/t6-,8+,9?,10-/m1/s1
InChIKeyKJZMZZMNRVGMEX-UKUJCULDSA-N
XLogP-2.16
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one?
The IUPAC name of 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one (CID 159440392) is 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one.
What is the SMILES notation for 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one?
The canonical SMILES for 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one is C=C1NC(=O)C=CN1[C@@H]1O[C@H](CO)[C@H](O)C1O.
What is the InChIKey of 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one?
The InChIKey is KJZMZZMNRVGMEX-UKUJCULDSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-5-11-7(14)2-3-12(5)10-9(16)8(15)6(4-13)17-10/h2-3,6,8-10,13,15-16H,1,4H2,(H,11,14)/t6-,8+,9?,10-/m1/s1.
What are the key properties of 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one?
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one has a molecular weight of 242.23 g/mol, XLogP of -2.16, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one is sourced from PubChem (CID 159440392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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