N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

C11H15N5O2 — CID 102949530

IUPACN-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2cc(OC)ncn2)no1
InChIInChI=1S/C11H15N5O2/c1-3-4-12-6-10-15-11(16-18-10)8-5-9(17-2)14-7-13-8/h5,7,12H,3-4,6H2,1-2H3
InChIKeyWNFSGYGTRPNYPU-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.03
Rot. Bonds6

About N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (PubChem CID 102949530) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
PubChem CID102949530
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2cc(OC)ncn2)no1
InChIInChI=1S/C11H15N5O2/c1-3-4-12-6-10-15-11(16-18-10)8-5-9(17-2)14-7-13-8/h5,7,12H,3-4,6H2,1-2H3
InChIKeyWNFSGYGTRPNYPU-UHFFFAOYSA-N
XLogP1.03
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 102949634
2-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 102949599
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 102949727
1-cyclopropyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 102953051
N-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 113329269
1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 102952993
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 102953025
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 102949555
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 102953039
1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 102953000
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 102949614

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (CID 102949530) is N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is CCCNCc1nc(-c2cc(OC)ncn2)no1.
What is the InChIKey of N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The InChIKey is WNFSGYGTRPNYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-4-12-6-10-15-11(16-18-10)8-5-9(17-2)14-7-13-8/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine has a molecular weight of 249.27 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 102949530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).