6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine

C12H18N6O2 — CID 45198176

IUPAC6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCOCc1nc(CNc2cc(CCN)nc(C)n2)no1
InChIInChI=1S/C12H18N6O2/c1-8-15-9(3-4-13)5-10(16-8)14-6-11-17-12(7-19-2)20-18-11/h5H,3-4,6-7,13H2,1-2H3,(H,14,15,16)
InChIKeyWKPWEUNJBOQJDL-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.43
Rot. Bonds7

About 6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine

6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine (PubChem CID 45198176) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine
PubChem CID45198176
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCOCc1nc(CNc2cc(CCN)nc(C)n2)no1
InChIInChI=1S/C12H18N6O2/c1-8-15-9(3-4-13)5-10(16-8)14-6-11-17-12(7-19-2)20-18-11/h5H,3-4,6-7,13H2,1-2H3,(H,14,15,16)
InChIKeyWKPWEUNJBOQJDL-UHFFFAOYSA-N
XLogP0.43
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine (CID 45198176) is 6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine is COCc1nc(CNc2cc(CCN)nc(C)n2)no1.
What is the InChIKey of 6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine?
The InChIKey is WKPWEUNJBOQJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-8-15-9(3-4-13)5-10(16-8)14-6-11-17-12(7-19-2)20-18-11/h5H,3-4,6-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine?
6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine has a molecular weight of 278.32 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 45198176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).