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

C12H17N5O2 — CID 75379595

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCOCCc1noc(CN(C)c2cc(C)ncn2)n1
InChIInChI=1S/C12H17N5O2/c1-9-6-11(14-8-13-9)17(2)7-12-15-10(16-19-12)4-5-18-3/h6,8H,4-5,7H2,1-3H3
InChIKeyORWAJHLSLCWWIJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.99
Rot. Bonds6

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

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 75379595) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID75379595
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCOCCc1noc(CN(C)c2cc(C)ncn2)n1
InChIInChI=1S/C12H17N5O2/c1-9-6-11(14-8-13-9)17(2)7-12-15-10(16-19-12)4-5-18-3/h6,8H,4-5,7H2,1-3H3
InChIKeyORWAJHLSLCWWIJ-UHFFFAOYSA-N
XLogP0.99
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.99
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,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine (CID 75379595) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine is COCCc1noc(CN(C)c2cc(C)ncn2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ORWAJHLSLCWWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-9-6-11(14-8-13-9)17(2)7-12-15-10(16-19-12)4-5-18-3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 263.30 g/mol, XLogP of 0.99, 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,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 75379595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).