4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine

C16H17N5O3 — CID 167850970

IUPAC4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(-c2nc(-c3ccc(OC)cc3OC)no2)n1
InChIInChI=1S/C16H17N5O3/c1-9-7-12(19-16(17-2)18-9)15-20-14(21-24-15)11-6-5-10(22-3)8-13(11)23-4/h5-8H,1-4H3,(H,17,18,19)
InChIKeyAABJCEDIVCVCEM-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.56
Rot. Bonds5

About 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine

4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine (PubChem CID 167850970) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine
PubChem CID167850970
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(-c2nc(-c3ccc(OC)cc3OC)no2)n1
InChIInChI=1S/C16H17N5O3/c1-9-7-12(19-16(17-2)18-9)15-20-14(21-24-15)11-6-5-10(22-3)8-13(11)23-4/h5-8H,1-4H3,(H,17,18,19)
InChIKeyAABJCEDIVCVCEM-UHFFFAOYSA-N
XLogP2.56
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527886
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine
CID 68579557
5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 91941431
3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
CID 95333703
3-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 51202891
3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole
CID 166253902
5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine
CID 63691181
[2-(2,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250716
5-(2,4-dimethoxyphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53112506
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 51202784
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethoxy)aniline
CID 51252631
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylethanamine
CID 75526119

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine (CID 167850970) is 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(-c2nc(-c3ccc(OC)cc3OC)no2)n1.
What is the InChIKey of 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is AABJCEDIVCVCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-9-7-12(19-16(17-2)18-9)15-20-14(21-24-15)11-6-5-10(22-3)8-13(11)23-4/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine?
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 327.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 167850970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).