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

C12H17N5O — CID 63348786

IUPAC3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(C)(C)C(N)Cc1nc(-c2ncccn2)no1
InChIInChI=1S/C12H17N5O/c1-12(2,3)8(13)7-9-16-11(17-18-9)10-14-5-4-6-15-10/h4-6,8H,7,13H2,1-3H3
InChIKeyQXQUUMMCMGESJK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.44
Rot. Bonds3

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

3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 63348786) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID63348786
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(C)(C)C(N)Cc1nc(-c2ncccn2)no1
InChIInChI=1S/C12H17N5O/c1-12(2,3)8(13)7-9-16-11(17-18-9)10-14-5-4-6-15-10/h4-6,8H,7,13H2,1-3H3
InChIKeyQXQUUMMCMGESJK-UHFFFAOYSA-N
XLogP1.44
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345645
3,3-dimethyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347365
3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345690
2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile
CID 106523990
1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345603
3,3-dimethyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351213
2-methyl-N-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60837590
1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 106789732
2-[5-(2-amino-3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826986
N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63349001
3,3-dimethyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352397
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 116704120

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 63348786) is 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is CC(C)(C)C(N)Cc1nc(-c2ncccn2)no1.
What is the InChIKey of 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is QXQUUMMCMGESJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-12(2,3)8(13)7-9-16-11(17-18-9)10-14-5-4-6-15-10/h4-6,8H,7,13H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 63348786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).