3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide

C17H19N3O2 — CID 125174867

IUPAC3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
SMILESCc1cc(C)nc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)n1
InChIInChI=1S/C17H19N3O2/c1-11-8-12(2)19-16(18-11)13-4-3-5-14(9-13)17(21)20-15-6-7-22-10-15/h3-5,8-9,15H,6-7,10H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyHYHNFQAYZLOMPT-HNNXBMFYSA-N
MW297.36 g/mol
LogP2.28
Rot. Bonds3

About 3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide

3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide (PubChem CID 125174867) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
PubChem CID125174867
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
SMILESCc1cc(C)nc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)n1
InChIInChI=1S/C17H19N3O2/c1-11-8-12(2)19-16(18-11)13-4-3-5-14(9-13)17(21)20-15-6-7-22-10-15/h3-5,8-9,15H,6-7,10H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyHYHNFQAYZLOMPT-HNNXBMFYSA-N
XLogP2.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125435137
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide
CID 125169993
3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide
CID 125439283
3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125447195
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
2-(ethylamino)-6-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 113379136
3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
CID 118792986
3-methyl-N-[(3R)-oxolan-3-yl]imidazo[1,2-a]pyridine-7-carboxamide
CID 138005256
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 97202366
3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide
CID 97187261

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide (CID 125174867) is 3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide is Cc1cc(C)nc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is HYHNFQAYZLOMPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-8-12(2)19-16(18-11)13-4-3-5-14(9-13)17(21)20-15-6-7-22-10-15/h3-5,8-9,15H,6-7,10H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide?
3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 125174867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).