3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole

C14H19N5O — CID 72867802

IUPAC3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(c3ncnc(C)c3C)CC2)no1
InChIInChI=1S/C14H19N5O/c1-9-10(2)15-8-16-14(9)19-6-4-12(5-7-19)13-17-11(3)20-18-13/h8,12H,4-7H2,1-3H3
InChIKeyMKMZWWQHVOMFPN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds2

About 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole

3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 72867802) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID72867802
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(c3ncnc(C)c3C)CC2)no1
InChIInChI=1S/C14H19N5O/c1-9-10(2)15-8-16-14(9)19-6-4-12(5-7-19)13-17-11(3)20-18-13/h8,12H,4-7H2,1-3H3
InChIKeyMKMZWWQHVOMFPN-UHFFFAOYSA-N
XLogP2.17
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole (CID 72867802) is 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc(C2CCN(c3ncnc(C)c3C)CC2)no1.
What is the InChIKey of 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is MKMZWWQHVOMFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-10(2)15-8-16-14(9)19-6-4-12(5-7-19)13-17-11(3)20-18-13/h8,12H,4-7H2,1-3H3.
What are the key properties of 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 72867802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).