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

C12H17N5O — CID 55201271

IUPACN,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCNC(Cc1nc(-c2ncccn2)no1)C(C)C
InChIInChI=1S/C12H17N5O/c1-8(2)9(13-3)7-10-16-12(17-18-10)11-14-5-4-6-15-11/h4-6,8-9,13H,7H2,1-3H3
InChIKeyGDCUTROBWOITGE-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.31
Rot. Bonds5

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

N,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 55201271) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID55201271
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCNC(Cc1nc(-c2ncccn2)no1)C(C)C
InChIInChI=1S/C12H17N5O/c1-8(2)9(13-3)7-10-16-12(17-18-10)11-14-5-4-6-15-11/h4-6,8-9,13H,7H2,1-3H3
InChIKeyGDCUTROBWOITGE-UHFFFAOYSA-N
XLogP1.31
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of N,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 55201271) is N,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is CNC(Cc1nc(-c2ncccn2)no1)C(C)C.
What is the InChIKey of N,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is GDCUTROBWOITGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(2)9(13-3)7-10-16-12(17-18-10)11-14-5-4-6-15-11/h4-6,8-9,13H,7H2,1-3H3.
What are the key properties of N,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
N,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 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 55201271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).