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

C17H24N6O2 — CID 77082404

IUPAC5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESc1nc(C2CCN(Cc3cnc(NCC4CCCO4)nc3)CC2)no1
InChIInChI=1S/C17H24N6O2/c1-2-15(24-7-1)10-20-17-18-8-13(9-19-17)11-23-5-3-14(4-6-23)16-21-12-25-22-16/h8-9,12,14-15H,1-7,10-11H2,(H,18,19,20)
InChIKeyFATDHVXBYSCABP-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.83
Rot. Bonds6

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

5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 77082404) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
PubChem CID77082404
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESc1nc(C2CCN(Cc3cnc(NCC4CCCO4)nc3)CC2)no1
InChIInChI=1S/C17H24N6O2/c1-2-15(24-7-1)10-20-17-18-8-13(9-19-17)11-23-5-3-14(4-6-23)16-21-12-25-22-16/h8-9,12,14-15H,1-7,10-11H2,(H,18,19,20)
InChIKeyFATDHVXBYSCABP-UHFFFAOYSA-N
XLogP1.83
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (CID 77082404) is 5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is c1nc(C2CCN(Cc3cnc(NCC4CCCO4)nc3)CC2)no1.
What is the InChIKey of 5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is FATDHVXBYSCABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-2-15(24-7-1)10-20-17-18-8-13(9-19-17)11-23-5-3-14(4-6-23)16-21-12-25-22-16/h8-9,12,14-15H,1-7,10-11H2,(H,18,19,20).
What are the key properties of 5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 77082404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).