3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine

C18H20N6O — CID 66780087

IUPAC3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
SMILESCN(C)c1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1
InChIInChI=1S/C18H20N6O/c1-24(2)17-22-15(23-25-17)18(8-3-9-18)14-6-4-12(5-7-14)13-10-20-16(19)21-11-13/h4-7,10-11H,3,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyGVHNMEWMBOSYFW-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.64
Rot. Bonds4

About 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine

3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine (PubChem CID 66780087) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
PubChem CID66780087
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
SMILESCN(C)c1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1
InChIInChI=1S/C18H20N6O/c1-24(2)17-22-15(23-25-17)18(8-3-9-18)14-6-4-12(5-7-14)13-10-20-16(19)21-11-13/h4-7,10-11H,3,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyGVHNMEWMBOSYFW-UHFFFAOYSA-N
XLogP2.64
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-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 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine (CID 66780087) is 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine is CN(C)c1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1.
What is the InChIKey of 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
The InChIKey is GVHNMEWMBOSYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-24(2)17-22-15(23-25-17)18(8-3-9-18)14-6-4-12(5-7-14)13-10-20-16(19)21-11-13/h4-7,10-11H,3,8-9H2,1-2H3,(H2,19,20,21).
What are the key properties of 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine has a molecular weight of 336.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 66780087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).