6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine

C15H23N7O — CID 142685956

IUPAC6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCC(C)c1noc(CCN2CCN(c3cc(N)ncn3)CC2)n1
InChIInChI=1S/C15H23N7O/c1-11(2)15-19-14(23-20-15)3-4-21-5-7-22(8-6-21)13-9-12(16)17-10-18-13/h9-11H,3-8H2,1-2H3,(H2,16,17,18)
InChIKeyAMFOXQAGFLMCMC-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.93
Rot. Bonds5

About 6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine

6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 142685956) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID142685956
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCC(C)c1noc(CCN2CCN(c3cc(N)ncn3)CC2)n1
InChIInChI=1S/C15H23N7O/c1-11(2)15-19-14(23-20-15)3-4-21-5-7-22(8-6-21)13-9-12(16)17-10-18-13/h9-11H,3-8H2,1-2H3,(H2,16,17,18)
InChIKeyAMFOXQAGFLMCMC-UHFFFAOYSA-N
XLogP0.93
TPSA97.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine (CID 142685956) is 6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine is CC(C)c1noc(CCN2CCN(c3cc(N)ncn3)CC2)n1.
What is the InChIKey of 6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is AMFOXQAGFLMCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-11(2)15-19-14(23-20-15)3-4-21-5-7-22(8-6-21)13-9-12(16)17-10-18-13/h9-11H,3-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine?
6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 142685956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).