4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine

C12H17N5O2 — CID 131919807

IUPAC4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2nc(CC)no2)n1
InChIInChI=1S/C12H17N5O2/c1-3-9-15-11(19-17-9)6-8-14-12-13-7-5-10(16-12)18-4-2/h5,7H,3-4,6,8H2,1-2H3,(H,13,14,16)
InChIKeySZAGJGMYHLNXTQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.48
Rot. Bonds7

About 4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine

4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine (PubChem CID 131919807) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
PubChem CID131919807
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2nc(CC)no2)n1
InChIInChI=1S/C12H17N5O2/c1-3-9-15-11(19-17-9)6-8-14-12-13-7-5-10(16-12)18-4-2/h5,7H,3-4,6,8H2,1-2H3,(H,13,14,16)
InChIKeySZAGJGMYHLNXTQ-UHFFFAOYSA-N
XLogP1.48
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine (CID 131919807) is 4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine is CCOc1ccnc(NCCc2nc(CC)no2)n1.
What is the InChIKey of 4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine?
The InChIKey is SZAGJGMYHLNXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-9-15-11(19-17-9)6-8-14-12-13-7-5-10(16-12)18-4-2/h5,7H,3-4,6,8H2,1-2H3,(H,13,14,16).
What are the key properties of 4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine?
4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine has a molecular weight of 263.30 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 131919807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).