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

C10H13N5O — CID 115528681

IUPAC2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(-c2ccncn2)no1
InChIInChI=1S/C10H13N5O/c1-3-10(2,11)9-14-8(15-16-9)7-4-5-12-6-13-7/h4-6H,3,11H2,1-2H3
InChIKeyGNWHTBAJHOUQJT-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.11
Rot. Bonds3

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

2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 115528681) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID115528681
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(-c2ccncn2)no1
InChIInChI=1S/C10H13N5O/c1-3-10(2,11)9-14-8(15-16-9)7-4-5-12-6-13-7/h4-6H,3,11H2,1-2H3
InChIKeyGNWHTBAJHOUQJT-UHFFFAOYSA-N
XLogP1.11
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,1,1-trifluoro-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 115528994
2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798166
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 79798411
2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 115531419
2-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 79799134
2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798839
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 136984506
ethyl 3-pyrimidin-4-yl-1,2,4-oxadiazole-5-carboxylate
CID 53206373
5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 115528772
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
CID 113329157
(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915904
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79804546

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 115528681) is 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is CCC(C)(N)c1nc(-c2ccncn2)no1.
What is the InChIKey of 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is GNWHTBAJHOUQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-3-10(2,11)9-14-8(15-16-9)7-4-5-12-6-13-7/h4-6H,3,11H2,1-2H3.
What are the key properties of 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 219.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 115528681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).