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

C15H15N5O2 — CID 91624198

IUPACN-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCOCCNc1ncncc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H15N5O2/c1-21-8-7-17-14-12(9-16-10-18-14)15-19-13(20-22-15)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,17,18)
InChIKeyTYYSWIPROBWVFT-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.25
Rot. Bonds6

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

N-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 91624198) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID91624198
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCOCCNc1ncncc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H15N5O2/c1-21-8-7-17-14-12(9-16-10-18-14)15-19-13(20-22-15)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,17,18)
InChIKeyTYYSWIPROBWVFT-UHFFFAOYSA-N
XLogP2.25
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.25
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)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 91624198) is N-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is COCCNc1ncncc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of N-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is TYYSWIPROBWVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-21-8-7-17-14-12(9-16-10-18-14)15-19-13(20-22-15)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,17,18).
What are the key properties of N-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 297.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 91624198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).