2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

C17H20N6O — CID 157015650

IUPAC2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCCc1noc(-c2cccc(Nc3ncc(C)c(N(C)C)n3)c2)n1
InChIInChI=1S/C17H20N6O/c1-5-14-20-16(24-22-14)12-7-6-8-13(9-12)19-17-18-10-11(2)15(21-17)23(3)4/h6-10H,5H2,1-4H3,(H,18,19,21)
InChIKeyPGEQCPMMUCUUID-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.21
Rot. Bonds5

About 2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 157015650) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID157015650
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCCc1noc(-c2cccc(Nc3ncc(C)c(N(C)C)n3)c2)n1
InChIInChI=1S/C17H20N6O/c1-5-14-20-16(24-22-14)12-7-6-8-13(9-12)19-17-18-10-11(2)15(21-17)23(3)4/h6-10H,5H2,1-4H3,(H,18,19,21)
InChIKeyPGEQCPMMUCUUID-UHFFFAOYSA-N
XLogP3.21
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
CID 157018298
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 46266995
2-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)anilino]methylidene]propanedinitrile
CID 168542942
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 46267006
4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine
CID 157015553
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 46267007
2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-ethylphenyl)acetamide
CID 46266683
4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine
CID 157019241
ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline
CID 154683572
2-N-[2-(dimethylamino)-3-pyridinyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157018593
2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157019644

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 157015650) is 2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is CCc1noc(-c2cccc(Nc3ncc(C)c(N(C)C)n3)c2)n1.
What is the InChIKey of 2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is PGEQCPMMUCUUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-5-14-20-16(24-22-14)12-7-6-8-13(9-12)19-17-18-10-11(2)15(21-17)23(3)4/h6-10H,5H2,1-4H3,(H,18,19,21).
What are the key properties of 2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 324.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 157015650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).