3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide

C19H23N3O5 — CID 119062713

IUPAC3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
SMILESCCN(C(=O)c1cccc(-c2cc(OC)nc(OC)n2)c1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C19H23N3O5/c1-4-22(15-10-27-11-16(15)23)18(24)13-7-5-6-12(8-13)14-9-17(25-2)21-19(20-14)26-3/h5-9,15-16,23H,4,10-11H2,1-3H3/t15-,16-/m0/s1
InChIKeyWJQLMXOATJUQEB-HOTGVXAUSA-N
MW373.41 g/mol
LogP1.38
Rot. Bonds6

About 3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide

3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide (PubChem CID 119062713) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
PubChem CID119062713
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
SMILESCCN(C(=O)c1cccc(-c2cc(OC)nc(OC)n2)c1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C19H23N3O5/c1-4-22(15-10-27-11-16(15)23)18(24)13-7-5-6-12(8-13)14-9-17(25-2)21-19(20-14)26-3/h5-9,15-16,23H,4,10-11H2,1-3H3/t15-,16-/m0/s1
InChIKeyWJQLMXOATJUQEB-HOTGVXAUSA-N
XLogP1.38
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide?
The IUPAC name of 3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide (CID 119062713) is 3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide.
What is the SMILES notation for 3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide?
The canonical SMILES for 3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide is CCN(C(=O)c1cccc(-c2cc(OC)nc(OC)n2)c1)[C@H]1COC[C@@H]1O.
What is the InChIKey of 3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide?
The InChIKey is WJQLMXOATJUQEB-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-4-22(15-10-27-11-16(15)23)18(24)13-7-5-6-12(8-13)14-9-17(25-2)21-19(20-14)26-3/h5-9,15-16,23H,4,10-11H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of 3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide?
3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide is sourced from PubChem (CID 119062713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).