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

C17H24N6O2 — CID 126887732

IUPAC6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3noc(C4CCOC4)n3)CC2)ncn1
InChIInChI=1S/C17H24N6O2/c1-12-8-15(19-11-18-12)20-14-2-5-23(6-3-14)9-16-21-17(25-22-16)13-4-7-24-10-13/h8,11,13-14H,2-7,9-10H2,1H3,(H,18,19,20)
InChIKeyREPMCVBAERRLFP-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.75
Rot. Bonds5

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

6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887732) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887732
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3noc(C4CCOC4)n3)CC2)ncn1
InChIInChI=1S/C17H24N6O2/c1-12-8-15(19-11-18-12)20-14-2-5-23(6-3-14)9-16-21-17(25-22-16)13-4-7-24-10-13/h8,11,13-14H,2-7,9-10H2,1H3,(H,18,19,20)
InChIKeyREPMCVBAERRLFP-UHFFFAOYSA-N
XLogP1.75
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887311
N-[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887700
N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887693
N-[1-(cyclobutylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887813
6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887741
6-methyl-N-[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887752
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888478
6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887894
2-[2-[4-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914582

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126887732) is 6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is Cc1cc(NC2CCN(Cc3noc(C4CCOC4)n3)CC2)ncn1.
What is the InChIKey of 6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is REPMCVBAERRLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-8-15(19-11-18-12)20-14-2-5-23(6-3-14)9-16-21-17(25-22-16)13-4-7-24-10-13/h8,11,13-14H,2-7,9-10H2,1H3,(H,18,19,20).
What are the key properties of 6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).