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

C16H22N6O — CID 126887738

IUPACN-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3nnc(C4CC4)o3)CC2)ncn1
InChIInChI=1S/C16H22N6O/c1-11-8-14(18-10-17-11)19-13-4-6-22(7-5-13)9-15-20-21-16(23-15)12-2-3-12/h8,10,12-13H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyMHDMVBDDHPREGU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.12
Rot. Bonds5

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

N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126887738) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126887738
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3nnc(C4CC4)o3)CC2)ncn1
InChIInChI=1S/C16H22N6O/c1-11-8-14(18-10-17-11)19-13-4-6-22(7-5-13)9-15-20-21-16(23-15)12-2-3-12/h8,10,12-13H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyMHDMVBDDHPREGU-UHFFFAOYSA-N
XLogP2.12
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

6-Cyclopropyl-N-[(5-ethyl-1,3,4-oxadiazol-2-YL)methyl]-N-methylpyrimidin-4-amine
CID 72857867
2-{4-[(5-Cyclopropyl-1,3,4-oxadiazol-2-YL)methyl]piperazin-1-YL}-4-methyl-6-(trifluoromethyl)pyrimidine
CID 91840022
6-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126887681
N,6-dimethyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126889360
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-{1-[(1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889764
N-cyclopropyl-6-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126890543
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
N-cyclopropyl-N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890934
N-cyclopropyl-N-{1-[(1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890935

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 126887738) is N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCN(Cc3nnc(C4CC4)o3)CC2)ncn1.
What is the InChIKey of N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The InChIKey is MHDMVBDDHPREGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-8-14(18-10-17-11)19-13-4-6-22(7-5-13)9-15-20-21-16(23-15)12-2-3-12/h8,10,12-13H,2-7,9H2,1H3,(H,17,18,19).
What are the key properties of N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 314.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126887738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).