4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine

C16H23N7O — CID 72901906

IUPAC4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine
SMILESC=CCc1c(C)nc(N)nc1N1CCN(Cc2noc(C)n2)CC1
InChIInChI=1S/C16H23N7O/c1-4-5-13-11(2)18-16(17)20-15(13)23-8-6-22(7-9-23)10-14-19-12(3)24-21-14/h4H,1,5-10H2,2-3H3,(H2,17,18,20)
InChIKeyPRFIMOVHPUHUIN-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.11
Rot. Bonds5

About 4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine

4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine (PubChem CID 72901906) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine
PubChem CID72901906
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine
SMILESC=CCc1c(C)nc(N)nc1N1CCN(Cc2noc(C)n2)CC1
InChIInChI=1S/C16H23N7O/c1-4-5-13-11(2)18-16(17)20-15(13)23-8-6-22(7-9-23)10-14-19-12(3)24-21-14/h4H,1,5-10H2,2-3H3,(H2,17,18,20)
InChIKeyPRFIMOVHPUHUIN-UHFFFAOYSA-N
XLogP1.11
TPSA97.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine (CID 72901906) is 4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine is C=CCc1c(C)nc(N)nc1N1CCN(Cc2noc(C)n2)CC1.
What is the InChIKey of 4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine?
The InChIKey is PRFIMOVHPUHUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-4-5-13-11(2)18-16(17)20-15(13)23-8-6-22(7-9-23)10-14-19-12(3)24-21-14/h4H,1,5-10H2,2-3H3,(H2,17,18,20).
What are the key properties of 4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine?
4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine has a molecular weight of 329.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 72901906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).