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

C13H19N5O2 — CID 102949727

IUPAC3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCOc1cc(-c2noc(CCCNC(C)C)n2)ncn1
InChIInChI=1S/C13H19N5O2/c1-9(2)14-6-4-5-11-17-13(18-20-11)10-7-12(19-3)16-8-15-10/h7-9,14H,4-6H2,1-3H3
InChIKeyBUYGPKCLPYXMSQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.47
Rot. Bonds7

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

3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 102949727) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
PubChem CID102949727
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCOc1cc(-c2noc(CCCNC(C)C)n2)ncn1
InChIInChI=1S/C13H19N5O2/c1-9(2)14-6-4-5-11-17-13(18-20-11)10-7-12(19-3)16-8-15-10/h7-9,14H,4-6H2,1-3H3
InChIKeyBUYGPKCLPYXMSQ-UHFFFAOYSA-N
XLogP1.47
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 102949530
N-[2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 103372758
2-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 102949599
N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 102949634
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
1-cyclopropyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 102953051
1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 102953000
1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 102952993
N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 54924301
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 102949718
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 102953025
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 102953039

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine (CID 102949727) is 3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine is COc1cc(-c2noc(CCCNC(C)C)n2)ncn1.
What is the InChIKey of 3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is BUYGPKCLPYXMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9(2)14-6-4-5-11-17-13(18-20-11)10-7-12(19-3)16-8-15-10/h7-9,14H,4-6H2,1-3H3.
What are the key properties of 3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine?
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 277.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 102949727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).