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

C18H26N6O2 — CID 126887737

IUPAC6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3nnc(C4CCOCC4)o3)CC2)ncn1
InChIInChI=1S/C18H26N6O2/c1-13-10-16(20-12-19-13)21-15-2-6-24(7-3-15)11-17-22-23-18(26-17)14-4-8-25-9-5-14/h10,12,14-15H,2-9,11H2,1H3,(H,19,20,21)
InChIKeyNYZLTPHZISAOOQ-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.14
Rot. Bonds5

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

6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887737) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887737
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3nnc(C4CCOCC4)o3)CC2)ncn1
InChIInChI=1S/C18H26N6O2/c1-13-10-16(20-12-19-13)21-15-2-6-24(7-3-15)11-17-22-23-18(26-17)14-4-8-25-9-5-14/h10,12,14-15H,2-9,11H2,1H3,(H,19,20,21)
InChIKeyNYZLTPHZISAOOQ-UHFFFAOYSA-N
XLogP2.14
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126887681
N-(1-{[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889761
N-(1-{[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889762
N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889763
N-cyclopropyl-N-(1-{[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890933
2-Methyl-4-(4-{[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 155974745
4-(Oxan-4-yl)-6-(4-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)pyrimidine
CID 156008772
2-N-[[5-[3-[3-(cyclohexylamino)propylamino]propyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 135231840
4-[6-[1-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]pyrimidin-4-yl]morpholine
CID 56900188
2-Methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole
CID 95845355
2-Amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120799594
6-methyl-N-(1-{[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126887733

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126887737) is 6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is Cc1cc(NC2CCN(Cc3nnc(C4CCOCC4)o3)CC2)ncn1.
What is the InChIKey of 6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is NYZLTPHZISAOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13-10-16(20-12-19-13)21-15-2-6-24(7-3-15)11-17-22-23-18(26-17)14-4-8-25-9-5-14/h10,12,14-15H,2-9,11H2,1H3,(H,19,20,21).
What are the key properties of 6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
6-methyl-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 2.14, 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-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).