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

C15H22N6O2 — CID 50984532

IUPACN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCOCc1nc(CNc2cc(C)nc(N3CCCCC3)n2)no1
InChIInChI=1S/C15H22N6O2/c1-11-8-12(16-9-13-18-14(10-22-2)23-20-13)19-15(17-11)21-6-4-3-5-7-21/h8H,3-7,9-10H2,1-2H3,(H,16,17,19)
InChIKeyZYAGKWZYQCIQJF-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.92
Rot. Bonds6

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

N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 50984532) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID50984532
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC NameN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCOCc1nc(CNc2cc(C)nc(N3CCCCC3)n2)no1
InChIInChI=1S/C15H22N6O2/c1-11-8-12(16-9-13-18-14(10-22-2)23-20-13)19-15(17-11)21-6-4-3-5-7-21/h8H,3-7,9-10H2,1-2H3,(H,16,17,19)
InChIKeyZYAGKWZYQCIQJF-UHFFFAOYSA-N
XLogP1.92
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine with MolForge

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Related Compounds

5-(Methoxymethyl)-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588215
6-ethyl-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 50964866
5-ethyl-N~4~-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 72939791
N-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl}-2-methoxyacetamide
CID 76147923
4-[5-(Methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-piperazin-1-ylpyrimidine dihydrochloride
CID 45588214
N~4~-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 72927896
N-{1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889863
N-({4-fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl}methyl)-2,6-dimethylpyrimidin-4-amine
CID 168058004
2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]butanamide
CID 172338258
6-(2-aminoethyl)-N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-methylpyrimidin-4-amine
CID 45198176
N-methyl-5-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 50951873
6-ethyl-2-morpholin-4-yl-N-{[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrimidin-4-amine
CID 50959063

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine (CID 50984532) is N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine is COCc1nc(CNc2cc(C)nc(N3CCCCC3)n2)no1.
What is the InChIKey of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is ZYAGKWZYQCIQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-11-8-12(16-9-13-18-14(10-22-2)23-20-13)19-15(17-11)21-6-4-3-5-7-21/h8H,3-7,9-10H2,1-2H3,(H,16,17,19).
What are the key properties of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 318.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 50984532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).