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

C12H17N5O2 — CID 75379596

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-amine
SMILESCOCCc1noc(CN(C)c2nccc(C)n2)n1
InChIInChI=1S/C12H17N5O2/c1-9-4-6-13-12(14-9)17(2)8-11-15-10(16-19-11)5-7-18-3/h4,6H,5,7-8H2,1-3H3
InChIKeyIIIKJBAFEWRCKJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.99
Rot. Bonds6

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

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 75379596) 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,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-amine
PubChem CID75379596
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-amine
SMILESCOCCc1noc(CN(C)c2nccc(C)n2)n1
InChIInChI=1S/C12H17N5O2/c1-9-4-6-13-12(14-9)17(2)8-11-15-10(16-19-11)5-7-18-3/h4,6H,5,7-8H2,1-3H3
InChIKeyIIIKJBAFEWRCKJ-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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Related Compounds

5-(Methoxymethyl)-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588215
5-Ethyl-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588217
5-Methyl-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588452
N-{[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-YL]methyl}-N,4,6-trimethylpyrimidin-2-amine
CID 50983426
N,N,6-trimethyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine
CID 53573843
N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine
CID 71980282
3-[1-(4-Methylpyrimidin-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 72130925
5-Ethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72130927
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpyrimidin-2-amine
CID 72846992
2-(Dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 73440182
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine
CID 75379595
3-Methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110250159

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-amine (CID 75379596) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-amine is COCCc1noc(CN(C)c2nccc(C)n2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is IIIKJBAFEWRCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-9-4-6-13-12(14-9)17(2)8-11-15-10(16-19-11)5-7-18-3/h4,6H,5,7-8H2,1-3H3.
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-amine?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-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,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 75379596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).