N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine

C18H21N5O — CID 133461765

IUPACN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NC(C)c2noc(Cc3ccccc3)n2)nc(C)n1
InChIInChI=1S/C18H21N5O/c1-4-15-11-16(21-13(3)20-15)19-12(2)18-22-17(24-23-18)10-14-8-6-5-7-9-14/h5-9,11-12H,4,10H2,1-3H3,(H,19,20,21)
InChIKeyARGGGUNCKQFEJB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.49
Rot. Bonds6

About N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 133461765) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID133461765
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NC(C)c2noc(Cc3ccccc3)n2)nc(C)n1
InChIInChI=1S/C18H21N5O/c1-4-15-11-16(21-13(3)20-15)19-12(2)18-22-17(24-23-18)10-14-8-6-5-7-9-14/h5-9,11-12H,4,10H2,1-3H3,(H,19,20,21)
InChIKeyARGGGUNCKQFEJB-UHFFFAOYSA-N
XLogP3.49
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-3-carbonitrile
CID 133418971
1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61326226
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 96559454
(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340836
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 138043202
(1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine
CID 97323492
(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
CID 119340827
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 96559452
N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-fluoroquinazolin-4-amine
CID 167820856
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133378772
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078850

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 133461765) is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NC(C)c2noc(Cc3ccccc3)n2)nc(C)n1.
What is the InChIKey of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is ARGGGUNCKQFEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-15-11-16(21-13(3)20-15)19-12(2)18-22-17(24-23-18)10-14-8-6-5-7-9-14/h5-9,11-12H,4,10H2,1-3H3,(H,19,20,21).
What are the key properties of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133461765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).