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

C13H17N5O2 — CID 131926827

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2nc(C3CC3)no2)n1
InChIInChI=1S/C13H17N5O2/c1-2-19-10-5-7-14-13(17-10)15-8-6-11-16-12(18-20-11)9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,14,15,17)
InChIKeyMRHJQXJYFUYFQR-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.79
Rot. Bonds7

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

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine (PubChem CID 131926827) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine
PubChem CID131926827
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2nc(C3CC3)no2)n1
InChIInChI=1S/C13H17N5O2/c1-2-19-10-5-7-14-13(17-10)15-8-6-11-16-12(18-20-11)9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,14,15,17)
InChIKeyMRHJQXJYFUYFQR-UHFFFAOYSA-N
XLogP1.79
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 106418608
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 131930604
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637048
6-cyclopropyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 72882041
4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
CID 112637712
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
CID 112637806
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine (CID 131926827) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NCCc2nc(C3CC3)no2)n1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine?
The InChIKey is MRHJQXJYFUYFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-19-10-5-7-14-13(17-10)15-8-6-11-16-12(18-20-11)9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,14,15,17).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine has a molecular weight of 275.31 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 131926827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).