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

C11H15N5O2 — CID 106418608

IUPAC4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2noc(C)n2)n1
InChIInChI=1S/C11H15N5O2/c1-3-17-10-5-7-13-11(15-10)12-6-4-9-14-8(2)18-16-9/h5,7H,3-4,6H2,1-2H3,(H,12,13,15)
InChIKeyBEPSSMHCINJDNE-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.22
Rot. Bonds6

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

4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 106418608) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID106418608
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2noc(C)n2)n1
InChIInChI=1S/C11H15N5O2/c1-3-17-10-5-7-13-11(15-10)12-6-4-9-14-8(2)18-16-9/h5,7H,3-4,6H2,1-2H3,(H,12,13,15)
InChIKeyBEPSSMHCINJDNE-UHFFFAOYSA-N
XLogP1.22
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 131926827
4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106418468
4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637048
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
ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate
CID 106422570
N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine
CID 112638153
N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 114134754
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine
CID 106418495
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine (CID 106418608) is 4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine is CCOc1ccnc(NCCc2noc(C)n2)n1.
What is the InChIKey of 4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is BEPSSMHCINJDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-17-10-5-7-13-11(15-10)12-6-4-9-14-8(2)18-16-9/h5,7H,3-4,6H2,1-2H3,(H,12,13,15).
What are the key properties of 4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine?
4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 249.27 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 106418608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).