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

C19H23N3O5 — CID 119073766

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
SMILESCCN(C(=O)c1cccc(-c2nc(OC)cc(OC)n2)c1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C19H23N3O5/c1-4-22(14-10-27-11-15(14)23)19(24)13-7-5-6-12(8-13)18-20-16(25-2)9-17(21-18)26-3/h5-9,14-15,23H,4,10-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyKUNPQRVWBSVZTF-GJZGRUSLSA-N
MW373.41 g/mol
LogP1.38
Rot. Bonds6

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

3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide (PubChem CID 119073766) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
PubChem CID119073766
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
SMILESCCN(C(=O)c1cccc(-c2nc(OC)cc(OC)n2)c1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C19H23N3O5/c1-4-22(14-10-27-11-15(14)23)19(24)13-7-5-6-12(8-13)18-20-16(25-2)9-17(21-18)26-3/h5-9,14-15,23H,4,10-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyKUNPQRVWBSVZTF-GJZGRUSLSA-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-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide (CID 119073766) is 3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide is CCN(C(=O)c1cccc(-c2nc(OC)cc(OC)n2)c1)[C@H]1COC[C@@H]1O.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide?
The InChIKey is KUNPQRVWBSVZTF-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-4-22(14-10-27-11-15(14)23)19(24)13-7-5-6-12(8-13)18-20-16(25-2)9-17(21-18)26-3/h5-9,14-15,23H,4,10-11H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide?
3-(4,6-dimethoxypyrimidin-2-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-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide is sourced from PubChem (CID 119073766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).