N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine

C13H19N5O — CID 63348560

IUPACN-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCNC(Cc1nc(-c2ncccn2)no1)C(C)C
InChIInChI=1S/C13H19N5O/c1-4-14-10(9(2)3)8-11-17-13(18-19-11)12-15-6-5-7-16-12/h5-7,9-10,14H,4,8H2,1-3H3
InChIKeyVSZXJKPHFRLZHB-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.70
Rot. Bonds6

About N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine

N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 63348560) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID63348560
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCNC(Cc1nc(-c2ncccn2)no1)C(C)C
InChIInChI=1S/C13H19N5O/c1-4-14-10(9(2)3)8-11-17-13(18-19-11)12-15-6-5-7-16-12/h5-7,9-10,14H,4,8H2,1-3H3
InChIKeyVSZXJKPHFRLZHB-UHFFFAOYSA-N
XLogP1.70
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 63348560) is N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is CCNC(Cc1nc(-c2ncccn2)no1)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is VSZXJKPHFRLZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-14-10(9(2)3)8-11-17-13(18-19-11)12-15-6-5-7-16-12/h5-7,9-10,14H,4,8H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 261.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 63348560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).