N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide

C11H15N3O6 — CID 70006550

IUPACN-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
SMILESCC(=O)N(c1ccnc(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H15N3O6/c1-5(16)14(7-2-3-12-11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,19)/t6-,8-,9+,10-/m1/s1
InChIKeyZYKFDQZGGUZNMO-SFKDOBOXSA-N
MW285.26 g/mol
LogP-2.44
Rot. Bonds3

About N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide

N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 70006550) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
PubChem CID70006550
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC NameN-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
SMILESCC(=O)N(c1ccnc(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H15N3O6/c1-5(16)14(7-2-3-12-11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,19)/t6-,8-,9+,10-/m1/s1
InChIKeyZYKFDQZGGUZNMO-SFKDOBOXSA-N
XLogP-2.44
TPSA135.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide (CID 70006550) is N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide is CC(=O)N(c1ccnc(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is ZYKFDQZGGUZNMO-SFKDOBOXSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-5(16)14(7-2-3-12-11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,19)/t6-,8-,9+,10-/m1/s1.
What are the key properties of N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 285.26 g/mol, XLogP of -2.44, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 70006550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).