N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine

C13H19N5O2 — CID 50983426

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine
SMILESCOCCc1noc(CN(C)c2nc(C)cc(C)n2)n1
InChIInChI=1S/C13H19N5O2/c1-9-7-10(2)15-13(14-9)18(3)8-12-16-11(17-20-12)5-6-19-4/h7H,5-6,8H2,1-4H3
InChIKeyWITSWDVDSNCGQL-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.30
Rot. Bonds6

About N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine (PubChem CID 50983426) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine
PubChem CID50983426
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine
SMILESCOCCc1noc(CN(C)c2nc(C)cc(C)n2)n1
InChIInChI=1S/C13H19N5O2/c1-9-7-10(2)15-13(14-9)18(3)8-12-16-11(17-20-12)5-6-19-4/h7H,5-6,8H2,1-4H3
InChIKeyWITSWDVDSNCGQL-UHFFFAOYSA-N
XLogP1.30
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine (CID 50983426) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine is COCCc1noc(CN(C)c2nc(C)cc(C)n2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine?
The InChIKey is WITSWDVDSNCGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-7-10(2)15-13(14-9)18(3)8-12-16-11(17-20-12)5-6-19-4/h7H,5-6,8H2,1-4H3.
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine has a molecular weight of 277.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 50983426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).