N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine

C10H13N5O2 — CID 113329658

IUPACN-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(-c2ccnc(C)n2)no1
InChIInChI=1S/C10H13N5O2/c1-7-11-4-3-8(13-7)9-14-10(17-15-9)12-5-6-16-2/h3-4H,5-6H2,1-2H3,(H,12,14,15)
InChIKeyPXQPUKVVQXELMP-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.89
Rot. Bonds5

About N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine

N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 113329658) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine
PubChem CID113329658
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(-c2ccnc(C)n2)no1
InChIInChI=1S/C10H13N5O2/c1-7-11-4-3-8(13-7)9-14-10(17-15-9)12-5-6-16-2/h3-4H,5-6H2,1-2H3,(H,12,14,15)
InChIKeyPXQPUKVVQXELMP-UHFFFAOYSA-N
XLogP0.89
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.89
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine (CID 113329658) is N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(-c2ccnc(C)n2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is PXQPUKVVQXELMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-7-11-4-3-8(13-7)9-14-10(17-15-9)12-5-6-16-2/h3-4H,5-6H2,1-2H3,(H,12,14,15).
What are the key properties of N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine?
N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 235.25 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 113329658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).